The chemical "2-((R)-5-tert-Butoxycarbonylmethyl-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-ylamino)-4-(1-methyl-cyclohexyl)-butyric acid ethyl ester" is a complex organic compound with a molecular formula of C28H41NO5S. It is a derivative of benzo[b][1,4]thiazepine, a heterocyclic compound with a benzene ring fused to a thiazine ring. The molecule features a 4-oxo-tetrahydro-benzo[b][1,4]thiazepin-3-ylamine group, which is substituted with a tert-butoxycarbonylmethyl group at the 5-position. Additionally, it contains a 1-methyl-cyclohexyl group attached to a butyric acid moiety, which is further esterified with ethanol to form the ethyl ester. 2-((R)-5-tert-Butoxycarbonylmethyl-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-ylamino)-4-(1-methyl-cyclohexyl)-butyric acid ethyl ester is known for its potential therapeutic applications, particularly in the treatment of neurological disorders, due to its ability to modulate the activity of certain receptors in the central nervous system.
98413-58-2
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Basic information
- Product Name: 2-((R)-5-tert-Butoxycarbonylmethyl-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-ylamino)-4-(1-methyl-cyclohexyl)-butyric acid ethyl ester
- Synonyms:
- CAS NO:98413-58-2
- Molecular Formula:
- Molecular Weight: 518.718
- EINECS: N/A
- Product Categories: N/A
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Chemical Properties
- Melting Point: N/A
- Boiling Point: N/A
- Flash Point: N/A
- Appearance: N/A
- Density: N/A
- Refractive Index: N/A
- Storage Temp.: N/A
- Solubility: N/A
- CAS DataBase Reference: 2-((R)-5-tert-Butoxycarbonylmethyl-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-ylamino)-4-(1-methyl-cyclohexyl)-butyric acid ethyl ester(CAS DataBase Reference)
- NIST Chemistry Reference: 2-((R)-5-tert-Butoxycarbonylmethyl-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-ylamino)-4-(1-methyl-cyclohexyl)-butyric acid ethyl ester(98413-58-2)
- EPA Substance Registry System: 2-((R)-5-tert-Butoxycarbonylmethyl-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-ylamino)-4-(1-methyl-cyclohexyl)-butyric acid ethyl ester(98413-58-2)
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Safety Data
- Hazard Codes: N/A
- Statements: N/A
- Safety Statements: N/A
- WGK Germany:
- RTECS:
- HazardClass: N/A
- PackingGroup: N/A
- Hazardous Substances Data: 98413-58-2(Hazardous Substances Data)
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Check Digit Verification of cas no
The CAS Registry Mumber 98413-58-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,8,4,1 and 3 respectively; the second part has 2 digits, 5 and 8 respectively.Calculate Digit Verification of CAS Registry Number 98413-58:
(7*9)+(6*8)+(5*4)+(4*1)+(3*3)+(2*5)+(1*8)=162
162 % 10 = 2
So 98413-58-2 is a valid CAS Registry Number.
98413-58-2Upstream product
- 98413-34-4 ethyl 4-(1-methylcyclohexyl)-2-oxobutyrate
- 95779-67-2 tert-butyl (R)-3-amino-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-5-acetate
- 107-59-5 tert-Butyl chloroacetate
- 60115-45-9 S-(o-nitrophenyl)-L-cysteine
- 931-96-4 1-methyl-3-cyclohexene-1-carboxaldehyde
- 88-74-4 2-nitro-aniline
- 95779-65-0 tert-butyl (R)-4-oxo-3-phthalimido-2,3,4,5-tetrahydro-1,5-benzothiazepine-5-acetate
- 95779-63-8 (R)-3-(2-nitrophenyl)thio-2-phthalimidopropionic acid
- 100236-26-8 (2R)-3-(2-Aminophenylthio)-2-phthalimidopropionsaeure
- 95779-64-9 (R)-3-phthalimido-2,3-dihydro-1,5(5H)-benzothiazepin-4-one
- 103584-54-9 ethyl 3-(1-methylcyclohexyl)propionate
98413-58-2Downstream Products
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2-((R)-5-tert-Butoxycarbonylmethyl-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-ylamino)-4-(1-methyl-cyclohexyl)-butyric acid ethyl ester
