Products Categories
| CAS No.: | 104145-95-1 |
|---|---|
| Name: | Cefditoren |
| Molecular Structure: | |
|
|
|
| Formula: | C19H18N6O5S3 |
| Molecular Weight: | 506.587 |
| Synonyms: | 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-[2-(4-methyl-5-thiazolyl)ethenyl]-8-oxo-,[6R-[3(Z),6a,7b(Z)]]-;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-[(1Z)-2-(4-methyl-5-thiazolyl)ethenyl]-8-oxo-,(6R,7R)- (9CI);Cefditoren;Cefditoren acid; |
| Density: | 1.76 g/cm3 |
| PSA: | 246.10000 |
| LogP: | 2.00100 |
- 144851-82-1METHYL2-AMINO-3-FLUOROBENZOATE
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 173606-50-3BOC-10-AMINODECANOIC ACID
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 1219080-61-1IMIDAZOLE-2-BORONIC ACID
What can I do for you?
Get Best Price
Specification
This chemical is called Cefditoren, and its systematic name is 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino-3-(2-(4-methyl-5-thiazolyl)ethenyl)-8-oxo-, (6R-(3(Z),6alpha,7beta(Z)))-. With the molecular formula of C19H18N6O5S3, its molecular weight is 506.578420 . The CAS registry number of this chemical is 104145-95-1.
Other characteristics of the Cefditoren can be summarised as followings: (1)ACD/LogP: 0.07; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 11; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 241.88 Å2; (13)Index of Refraction: 1.825; (14)Molar Refractivity: 125.861 cm3; (15)Molar Volume: 287.886 cm3; (16)Polarizability: 49.895×10-24cm3; (17)Surface Tension: 81.282 dyne/cm; (18)Density: 1.76 g/cm3.
You can still convert the following datas into molecular structure:
1.SMILES: O=C3N2/C(=C(/C=C\c1scnc1C)CS[C@@H]2[C@@H]3NC(=O)C(=N\OC)/c4nc(sc4)N)C(=O)O
2.InChI: InChI=1/C19H18N6O5S3/c1-8-11(33-7-21-8)4-3-9-5-31-17-13(16(27)25(17)14(9)18(28)29)23-15(26)12(24-30-2)10-6-32-19(20)22-10/h3-4,6-7,13,17H,5H2,1-2H3,(H2,20,22)(H,23,26)(H,28,29)/b4-3-,24-12-/t13-,17-/m1/s1
3.InChIKey: KMIPKYQIOVAHOP-YLGJWRNMBM