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CAS 83625-35-8 Amebucort molecular structure lightbox
CAS RN: 83625-35-8

Amebucort

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251115 1mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS83625-35-8
  • Purity/Analytical Methods: >99.0%
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83625-35-8 / [(6S,8S,9S,10R,11S,13S,14S,17R)-17-(2-acetyloxyacetyl)-11-hydroxy-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate

Standard CAS: 83625-35-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
83625-35-8
Multi CAS
Yes
Molecular Formula
C28H40O7
Molecular Weight
488.600000
Exact Mass
488.277404
InChI
InChI=1S/C28H40O7/c1-6-7-24(33)35-28(23(32)15-34-17(3)29)11-9-20-19-12-16(2)21-13-18(30)8-10-26(21,4)25(19)22(31)14-27(20,28)5/h13,16,19-20,22,25,31H,6-12,14-15H2,1-5H3/t16-,19-,20-,22-,25+,26-,27-,28-/m0/s1
InChIKey
QRRVOCXLQYLNEC-PPJDWOAVSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Fraction Csp3
0.79
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
1
Molar refractivity
128.02
TPSA
106.97

LogP / Solubility

WLOGP
3.95
MLOGP
3.51
XLogP3
4.1
Consensus LogP
3.85
Log S (ESOL)
-4.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.83
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
7

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