[email protected]
CAS 26543-61-3 9α-BroMo-16α-Methylprednisolone molecular structure lightbox
CAS RN: 26543-61-3

9α-BroMo-16α-Methylprednisolone

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260429 10mg / 50mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS26543-61-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

26543-61-3 / 9-bromo-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

Standard CAS: 26543-61-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26543-61-3
Multi CAS
No
Molecular Formula
C22H29BrO5
Molecular Weight
453.400000
Exact Mass
452.119840
SMILES
CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)Br)C
InChI
InChI=1S/C22H29BrO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
InChIKey
XNZYFPXDQDPHGR-CXSFZGCWSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.73
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
3
Molar refractivity
107.76
TPSA
94.83

LogP / Solubility

WLOGP
2.32
MLOGP
2.07
XLogP3
2.4
Consensus LogP
2.26
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.77
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-3.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

Customers Also Viewed

Get In Touch

Contact Us