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CAS 262355-96-4 7,15-Dihydroxy-8(14)-podocarpen-13-one molecular structure lightbox
CAS RN: 262355-96-4

7,15-Dihydroxy-8(14)-podocarpen-13-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250106 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS262355-96-4
  • Purity/Analytical Methods: >99.0%
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262355-96-4 / (4aR,4bS,8R,8aR,10R)-10-hydroxy-8-(hydroxymethyl)-4b,8-dimethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-one

Standard CAS: 262355-96-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
262355-96-4
Multi CAS
No
Molecular Formula
C17H26O3
Molecular Weight
278.400000
Exact Mass
278.188195
SMILES
C[C@]1(CCC[C@]2([C@H]1C[C@H](C3=CC(=O)CC[C@@H]32)O)C)CO
InChI
InChI=1S/C17H26O3/c1-16(10-18)6-3-7-17(2)13-5-4-11(19)8-12(13)14(20)9-15(16)17/h8,13-15,18,20H,3-7,9-10H2,1-2H3/t13-,14+,15-,16-,17+/m0/s1
InChIKey
ZAYXCFZRTAJXMC-BQJWPVKWSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
77.08
TPSA
57.53

LogP / Solubility

WLOGP
2.46
MLOGP
2.18
XLogP3
1.6
Consensus LogP
2.08
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
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)
-2.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4

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