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CAS 5534-02-1 BETAMETHASONE BUTYRATE PROPIONATE molecular structure lightbox
CAS RN: 5534-02-1

BETAMETHASONE BUTYRATE PROPIONATE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250903 1mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS5534-02-1
  • Purity/Analytical Methods: >99.0%
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5534-02-1 / [(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(2-propanoyloxyacetyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] butanoate

Standard CAS: 5534-02-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5534-02-1
Multi CAS
Yes
Molecular Formula
C29FH39O7
Molecular Weight
518.600000
Exact Mass
518.267982
InChI
InChI=1S/C29H39FO7/c1-6-8-25(35)37-29(23(33)16-36-24(34)7-2)17(3)13-21-20-10-9-18-14-19(31)11-12-26(18,4)28(20,30)22(32)15-27(21,29)5/h11-12,14,17,20-22,32H,6-10,13,15-16H2,1-5H3/t17-,20-,21-,22-,26-,27-,28-,29-/m0/s1
InChIKey
VXOWJCTXWVWLLC-REGDIAEZSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Fraction Csp3
0.72
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
1
Molar refractivity
132.89
TPSA
106.97

LogP / Solubility

WLOGP
4.21
MLOGP
3.74
XLogP3
3.4
Consensus LogP
3.78
Log S (ESOL)
-5.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.36
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)
-2.9

Drug-likeness / Medicinal Chemistry

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

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