CAS No.25122-41-2,Clobetasol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	25122-41-2
Name:	Clobetasol
Article Data:	2

Formula:	C₂₂H₂₈ClFO₄
Molecular Weight:	410.913
Synonyms:	Pregna-1,4-diene-3,20-dione,21-chloro-9-fluoro-11b,17-dihydroxy-16b-methyl- (8CI);21-Chloro-9-fluoro-11b,17-dihydroxy-16b-methylpregna-1,4-diene-3,20-dione;Clobetasol;
EINECS:	246-633-8
Density:	1.32 g/cm³
Melting Point:	220-222°C
Boiling Point:	555.1 °C at 760 mmHg
Flash Point:	289.5 °C
Appearance:	white to off-white crystalline powder
Hazard Symbols:	T
Risk Codes:	61-48/20/21-53-62
Safety:	53-36/37-45
PSA:	74.60000
LogP:	3.14220

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Specification

The Clobetasol is an organic compound with the formula C₂₂H₂₈ClFO₄. The IUPAC name of this chemical is (8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one. With the CAS registry number 25122-41-2, it is also named as . The product's categories are (11β,16β)-21-Chloro-9-fluoro-11,17-dihydroxy-16-methylpregna-1,4-diene-3,20-dione.

Physical properties about Clobetasol are: (1)ACD/LogP: 2.74; (2)ACD/LogD (pH 5.5): 2.74; (3)ACD/LogD (pH 7.4): 2.74; (4)ACD/BCF (pH 5.5): 70.94; (5)ACD/BCF (pH 7.4): 70.94; (6)ACD/KOC (pH 5.5): 735.32; (7)ACD/KOC (pH 7.4): 735.3; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 52.6 Å²; (12)Index of Refraction: 1.582; (13)Molar Refractivity: 103.53 cm³; (14)Molar Volume: 310.1 cm³; (15)Polarizability: 41.04×10^-24cm³; (16)Surface Tension: 52.3 dyne/cm; (17)Density: 1.32 g/cm³; (18)Flash Point: 289.5 °C; (19)Enthalpy of Vaporization: 96.12 kJ/mol; (20)Boiling Point: 555.1 °C at 760 mmHg; (21)Vapour Pressure: 1.23E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCC(=O)[C@]3(O)[C@]2(C[C@H](O)[C@]4(F)[C@@]/1(\C(=C/C(=O)\C=C\1)CC[C@H]4[C@@H]2C[C@@H]3C)C)C
(2)InChI: InChI=1/C22H28ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1
(3)InChIKey: FCSHDIVRCWTZOX-DVTGEIKXBW
(4)Std. InChI: InChI=1S/C22H28ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1
(5)Std. InChIKey: FCSHDIVRCWTZOX-DVTGEIKXSA-N