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CAS 549-02-0 10β,17β-dihydroxyestra-1,4-dien-3-one molecular structure lightbox
CAS RN: 549-02-0

10β,17β-dihydroxyestra-1,4-dien-3-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260107 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS549-02-0
  • Purity/Analytical Methods: >99.0%
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549-02-0 / 10,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

Standard CAS: 549-02-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
549-02-0
Multi CAS
Yes
Molecular Formula
C18H24O3
Molecular Weight
288.400000
Exact Mass
288.172545
InChI
InChI=1S/C18H24O3/c1-17-8-7-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)6-9-18(11,15)21/h6,9-10,13-16,20-21H,2-5,7-8H2,1H3
InChIKey
UIKDFTLKOKNUJP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.72
H-bond acceptors
3
H-bond donors
2
Molar refractivity
79.47
TPSA
57.53

LogP / Solubility

WLOGP
2.38
MLOGP
2.11
XLogP3
1.7
Consensus LogP
2.06
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
6

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