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CAS 82543-15-5 (3b,5b,15a,16a)-15,16-Dihydro-3,5-dihydroxy-3’H-cycloprop[15,16]androsta-6,15-dien-17-one molecular structure lightbox
CAS RN: 82543-15-5

(3b,5b,15a,16a)-15,16-Dihydro-3,5-dihydroxy-3’H-cycloprop[15,16]androsta-6,15-dien-17-one

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251120 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: starshine_CAS82543-15-5
  • Purity/Analytical Methods: >99.0%
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82543-15-5 / 14,16-dihydroxy-7,11-dimethylpentacyclo[8.8.0.02,7.03,5.011,16]octadec-17-en-6-one

Standard CAS: 82543-15-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
82543-15-5
Multi CAS
Yes
Molecular Formula
C20H28O3
Molecular Weight
316.400000
Exact Mass
316.203845
InChI
InChI=1S/C20H28O3/c1-18-6-5-15-12(16(18)13-9-14(13)17(18)22)4-8-20(23)10-11(21)3-7-19(15,20)2/h4,8,11-16,21,23H,3,5-7,9-10H2,1-2H3/t11-,12+,13+,14-,15-,16+,18-,19+,20-/m0/s1
InChIKey
IYCDFUCBUZDDIU-MBYPHNFESA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.85
H-bond acceptors
3
H-bond donors
2
Molar refractivity
86.47
TPSA
57.53

LogP / Solubility

WLOGP
2.71
MLOGP
2.4
XLogP3
2.2
Consensus LogP
2.44
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.96
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
8

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