CAS No.1926-94-9,dexamethasone 21-pivalate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1926-94-9
Name:	dexamethasone 21-pivalate

Formula:	C₂₇H₃₇FO₆
Molecular Weight:	476.586
Synonyms:	Dexamethasone 21-pivalate;[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] 2,2-dimethylpropanoate;Pregna-1,4-diene-3,20-dione, 9-fluoro-11beta,17,21-trihydroxy-16alpha-methyl-, 21-pivalate;Opticortenol;Pregna-1,4-diene-3,20-dione, 21-(2,2-dimethyl-1-oxopropoxy)-9-fluoro-11,17-dihydroxy-16-methyl-, (11beta,16alpha)-;Dexamethasone trimethylacetate;Dexamethasone 21-trimethylacetate;Dexamethasone pivalate;Pregna-1,4-diene-3,20-dione,21-(2,2- dimethyl-1-oxopropoxy)-9-fluoro-11,17- dihydroxy-16-methyl-,(11a,16R)-;Pregna-1,4-diene-3,20-dione, 21-(2,2-dimethyl-1-oxopropoxy)-9-fluoro-11,17-dihydroxy-16-methyl-, (11β,16α)- (9CI);
EINECS:	217-659-7
Density:	1.24 g/cm³
Boiling Point:	598.6 °C at 760 mmHg
Flash Point:	315.8 °C
PSA:	100.90000
LogP:	3.24670

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Specification

The Dexamethasone trimethyl acetate, with the CAS registry number 1926-94-9, is also known as Pregna-1,4-diene-3,20-dione, 21-(2,2-dimethyl-1-oxopropoxy)-9-fluoro-11,17-dihydroxy-16-methyl-, (11beta,16alpha)-. Its EINECS number is 217-659-7. This chemical's molecular formula is C₂₇H₃₇FO₆ and molecular weight is 476.58. What's more, its systematic name is [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]2,2-dimethylpropanoate.

Physical properties of Dexamethasone trimethyl acetate are: (1)ACD/LogP: 3.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.69; (4)ACD/LogD (pH 7.4): 3.69; (5)#H bond acceptors: 6; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 7; (8)Polar Surface Area: 100.9 Å²; (9)Index of Refraction: 1.564; (10)Molar Refractivity: 119.11 cm³; (11)Molar Volume: 366 cm³; (12)Polarizability: 47.21×10^-24cm³; (13)Surface Tension: 51.2 dyne/cm; (14)Density: 1.26 g/cm³; (15)Flash Point: 313.4 °C; (16)Enthalpy of Vaporization: 101.7 kJ/mol; (17)Boiling Point: 594.6 °C at 760 mmHg; (18)Vapour Pressure: 1.29E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C(C)(C)C)O)C)O)F)C
(2)Isomeric SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C(C)(C)C)O)C)O)F)C
(3)InChI: InChI=1S/C27H37FO6/c1-15-11-19-18-8-7-16-12-17(29)9-10-24(16,5)26(18,28)20(30)13-25(19,6)27(15,33)21(31)14-34-22(32)23(2,3)4/h9-10,12,15,18-20,30,33H,7-8,11,13-14H2,1-6H3/t15-,18+,19+,20+,24+,25+,26+,27+/m1/s1
(4)InChIKey: XMQRFWOHEPJZPS-JHUFMRCFSA-N