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CAS 1186048-33-8 Betamethasone Tripropionate molecular structure lightbox
CAS RN: 1186048-33-8

Betamethasone Tripropionate

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2 package records2 with current stock1 grade group
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Batchno.20250908 25mg In stock Inquiry
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  • Product code: starshine_CAS1186048-33-8
  • Purity/Analytical Methods: >99.0%
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1186048-33-8 / [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-10,13,16-trimethyl-3-oxo-11,17-di(propanoyloxy)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate

Standard CAS: 1186048-33-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1186048-33-8
Multi CAS
Yes
Molecular Formula
C31H41FO8
Molecular Weight
560.600000
Exact Mass
560.278546
SMILES
CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)OC(=O)CC)C)C)OC(=O)CC
InChI
InChI=1S/C31H41FO8/c1-7-25(35)38-17-23(34)31(40-27(37)9-3)18(4)14-22-21-11-10-19-15-20(33)12-13-28(19,5)30(21,32)24(16-29(22,31)6)39-26(36)8-2/h12-13,15,18,21-22,24H,7-11,14,16-17H2,1-6H3/t18-,21-,22-,24-,28-,29-,30-,31-/m0/s1
InChIKey
MWHBGLRGUXAGHT-DGBYXFBUSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Fraction Csp3
0.71
Rotatable bonds
8
H-bond acceptors
8
Molar refractivity
142.44
TPSA
113.04

LogP / Solubility

WLOGP
4.78
MLOGP
4.25
XLogP3
4.6
Consensus LogP
4.54
Log S (ESOL)
-5.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.61
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.23
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)
-2.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5

Safety & Transport

Pictogram(s)
Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H360D (100%): May damage the unborn child [Danger Reproductive toxicity] H372 (100%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure] H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P203, P260, P264, P270, P273, P280, P318, P319, P391, P405, and P501

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