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CAS 66917-44-0 BetaMethasone 9,11-Epoxide 17,21-Dipropionate molecular structure lightbox
CAS RN: 66917-44-0

BetaMethasone 9,11-Epoxide 17,21-Dipropionate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250320 10mg / 50mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS66917-44-0
  • Purity/Analytical Methods: >99.0%
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66917-44-0 / [2-oxo-2-[(1S,2S,10S,11S,13S,14R,15S,17R)-2,13,15-trimethyl-5-oxo-14-propanoyloxy-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]ethyl] propanoate

Standard CAS: 66917-44-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
66917-44-0
Multi CAS
Yes
Molecular Formula
C28H36O7
Molecular Weight
484.600000
Exact Mass
484.246103
InChI
InChI=1S/C28H36O7/c1-6-23(31)33-15-21(30)27(35-24(32)7-2)16(3)12-20-19-9-8-17-13-18(29)10-11-25(17,4)28(19)22(34-28)14-26(20,27)5/h10-11,13,16,19-20,22H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,22+,25-,26-,27-,28+/m0/s1
InChIKey
BWSCDDHHJUGBSQ-FLLNTUSISA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Fraction Csp3
0.71
Rotatable bonds
6
H-bond acceptors
7
Molar refractivity
126.03
TPSA
99.27

LogP / Solubility

WLOGP
3.89
MLOGP
3.45
XLogP3
3.5
Consensus LogP
3.61
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.76
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)
-2.92

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

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