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CAS 362-06-1 2-HYDROXYESTRONE molecular structure lightbox
CAS RN: 362-06-1

2-HYDROXYESTRONE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250520 1mg, 5mg, 10mg Confirm by inquiry Inquiry
  • Product code: starshine_CAS362-06-1
  • Purity/Analytical Methods: >99.0%
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362-06-1 / 2,3-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

Standard CAS: 362-06-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
362-06-1
Multi CAS
Yes
Molecular Formula
C18H22O3
Molecular Weight
286.400000
Exact Mass
286.156895
InChI
InChI=1S/C18H22O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,19-20H,2-7H2,1H3
InChIKey
SWINWPBPEKHUOD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.61
H-bond acceptors
3
H-bond donors
2
Molar refractivity
79.4
TPSA
57.53

LogP / Solubility

WLOGP
3.52
MLOGP
3.11
XLogP3
2.8
Consensus LogP
3.14
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
Class (SILICOS-IT)
Slightly 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)
-1.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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