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CAS 25122-47-8 ClobetasolButyrate molecular structure lightbox
CAS RN: 25122-47-8

ClobetasolButyrate

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250910 1g In stock Shanghai, Shandong Inquiry
Batchno.20250427 200mg In stock Shanghai, Guangdong Inquiry
Batchno.20251224 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS25122-47-8
  • Purity/Analytical Methods: >99.0%
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25122-47-8 / [(8S,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] butanoate

Standard CAS: 25122-47-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
25122-47-8
Multi CAS
Yes
Molecular Formula
C26H34CLFO5
Molecular Weight
481.000000
Exact Mass
480.207880
InChI
InChI=1S/C26H34ClFO5/c1-5-6-22(32)33-26(21(31)14-27)15(2)11-19-18-8-7-16-12-17(29)9-10-23(16,3)25(18,28)20(30)13-24(19,26)4/h9-10,12,15,18-20,30H,5-8,11,13-14H2,1-4H3/t15-,18-,19-,20-,23-,24-,25-,26-/m0/s1
InChIKey
DERCOWNWEPPIHD-SOMXGXJRSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
0.73
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
122.36
TPSA
80.67

LogP / Solubility

WLOGP
4.49
MLOGP
3.99
XLogP3
3.6
Consensus LogP
4.03
Log S (ESOL)
-5.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.12
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)
-2.46

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
7

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