CAS No.2823-42-9,Flumethasone-17-acetate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2823-42-9
Name:	Flumethasone-17-acetate

Formula:	C₂₄H₃₀F₂O₆
Molecular Weight:	452.495
Synonyms:	Pregna-1,4-diene-3,20-dione,6a,9-difluoro-11b,17,21-trihydroxy-16a-methyl-, 21-acetate(6CI,7CI,8CI);6a-Fluorodexamethasone21-acetate;Flumethasone 21-acetate;Flumethasone acetate;Flumethasone-17-acetate;
EINECS:	220-581-6
Density:	1.33 g/cm³
Melting Point:	260-264 °C
Boiling Point:	581 °C at 760 mmHg
Flash Point:	305.2 °C
PSA:	100.90000
LogP:	2.41450

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Specification

The IUPAC name of Flumethasone-17-acetate is [2-[(6S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate. With the CAS registry number 2823-42-9, it is also named as Flumethasone acetate. In addition, its molecular formula is C₂₄H₃₀F₂O₆ and molecular weight is 452.49.

The other characteristics of Flumethasone-17-acetate can be summarized as: (1)EINECS: 220-581-6; (2)ACD/LogP: 2.70; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 2.7; (5)ACD/LogD (pH 7.4): 2.7; (6)ACD/BCF (pH 5.5): 66.34; (7)ACD/BCF (pH 7.4): 66.34; (8)ACD/KOC (pH 5.5): 700.88; (9)ACD/KOC (pH 7.4): 700.85; (10)#H bond acceptors: 6; (11)#H bond donors: 2; (12)#Freely Rotating Bonds: 6; (13)Polar Surface Area: 78.9 Å²; (14)Index of Refraction: 1.56; (15)Molar Refractivity: 109.91 cm³; (16)Molar Volume: 339.5 cm³; (17)Polarizability: 43.57×10^-24cm³; (18)Surface Tension: 51.1 dyne/cm; (19)Density: 1.33 g/cm³; (20)Flash Point: 305.2 °C; (21)Enthalpy of Vaporization: 99.77 kJ/mol; (22)Boiling Point: 581 °C at 760 mmHg; (23)Vapour Pressure: 6.4E-16 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OCC(=O)[C@]3(O)[C@]2(C[C@H](O)[C@]4(F)[C@@]/1(\C(=C/C(=O)\C=C\1)[C@@H](F)C[C@H]4[C@@H]2C[C@H]3C)C)C)C
(2)InChI: InChI=1/C24H30F2O6/c1-12-7-15-16-9-18(25)17-8-14(28)5-6-21(17,3)23(16,26)19(29)10-22(15,4)24(12,31)20(30)11-32-13(2)27/h5-6,8,12,15-16,18-19,29,31H,7,9-11H2,1-4H3/t12-,15+,16+,18+,19+,21+,22+,23+,24+/m1/s1
(3)InChIKey: ISSQQUKLQJHHOR-OSNGSNEUBL