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CAS 55102-39-1 4β-Carboxy-19-nortotarol molecular structure lightbox
CAS RN: 55102-39-1

4β-Carboxy-19-nortotarol

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260104 5mg Out of stock 30 business days Inquiry
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Batchno.20250412 5mg Out of stock Inquiry
  • Product code: starshine_CAS55102-39-1
  • Purity/Analytical Methods: >99.0%
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55102-39-1 / 7-hydroxy-1,4a-dimethyl-8-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid

Standard CAS: 55102-39-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55102-39-1
Multi CAS
Yes
Molecular Formula
C20H28O3
Molecular Weight
316.400000
Exact Mass
316.203845
InChI
InChI=1S/C20H28O3/c1-12(2)17-13-6-9-16-19(3,14(13)7-8-15(17)21)10-5-11-20(16,4)18(22)23/h7-8,12,16,21H,5-6,9-11H2,1-4H3,(H,22,23)/t16-,19-,20+/m1/s1
InChIKey
ODFSGGBGOKCJFA-AHRSYUTCSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
90.95
TPSA
57.53

LogP / Solubility

WLOGP
4.61
MLOGP
4.07
XLogP3
5.2
Consensus LogP
4.63
Log S (ESOL)
-4.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.78
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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