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CAS 2002-29-1 Flumethasone 21-pivalate molecular structure lightbox
CAS RN: 2002-29-1

Flumethasone 21-pivalate

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260203 100mg In stock Inquiry
Batchno.20250201 25mg In stock Inquiry
Batchno.20250110 5mg In stock Inquiry
  • Product code: starshine_CAS2002-29-1
  • Purity/Analytical Methods: >99.0%
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2002-29-1 / [2-[(6S,8S,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] 2,2-dimethylpropanoate

Standard CAS: 2002-29-1 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
2002-29-1
Multi CAS
No
Molecular Formula
C27H36F2O6
Molecular Weight
494.600000
Exact Mass
494.247995
SMILES
C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=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)F
InChI
InChI=1S/C27H36F2O6/c1-14-9-16-17-11-19(28)18-10-15(30)7-8-24(18,5)26(17,29)20(31)12-25(16,6)27(14,34)21(32)13-35-22(33)23(2,3)4/h7-8,10,14,16-17,19-20,31,34H,9,11-13H2,1-6H3/t14-,16+,17+,19+,20+,24+,25+,26+,27+/m1/s1
InChIKey
JWRMHDSINXPDHB-OJAGFMMFSA-N

Physical Properties

Melting Point
219 °C (base only)
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
35
Fraction Csp3
0.74
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
123.55
TPSA
100.9

LogP / Solubility

WLOGP
3.44
MLOGP
3.06
XLogP3
3.9
Consensus LogP
3.47
Log S (ESOL)
-4.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.09
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7.5

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Warning
GHS Hazard Statements
H351 (90.7%): Suspected of causing cancer [Warning Carcinogenicity]
Precautionary Statement Codes
P203, P280, P318, P405, and P501

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