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CAS 61597-83-9 13-Hydroxy-8,11,13-podocarpatrien-18-oic acid molecular structure lightbox
CAS RN: 61597-83-9

13-Hydroxy-8,11,13-podocarpatrien-18-oic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260225 5mg Out of stock Inquiry
  • Product code: starshine_CAS61597-83-9
  • Purity/Analytical Methods: >99.0%
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61597-83-9 / 7-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid

Standard CAS: 61597-83-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61597-83-9
Multi CAS
Yes
Molecular Formula
C17H22O3
Molecular Weight
274.350000
Exact Mass
274.156895
InChI
InChI=1S/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-4-11-10-12(18)5-6-13(11)16/h5-6,10,14,18H,3-4,7-9H2,1-2H3,(H,19,20)
InChIKey
DWHTYLMRWXUGJL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
76.86
TPSA
57.53

LogP / Solubility

WLOGP
3.49
MLOGP
3.08
XLogP3
4.1
Consensus LogP
3.56
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
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)
-1.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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