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CAS 4614-56-6 12-Hydroxypodocarpa-8,11,13-trien-19-oic acid methyl ester molecular structure lightbox
CAS RN: 4614-56-6

12-Hydroxypodocarpa-8,11,13-trien-19-oic acid methyl ester

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Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250527 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS4614-56-6
  • Purity/Analytical Methods: >99.0%
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4614-56-6 / methyl (1S,4aS,10aR)-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate

Standard CAS: 4614-56-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4614-56-6
Multi CAS
No
Molecular Formula
C18H24O3
Molecular Weight
288.400000
Exact Mass
288.172545
InChI
InChI=1S/C18H24O3/c1-17-9-4-10-18(2,16(20)21-3)15(17)8-6-12-5-7-13(19)11-14(12)17/h5,7,11,15,19H,4,6,8-10H2,1-3H3/t15-,17-,18+/m1/s1
InChIKey
HRZWXLUBKWXXNM-NXHRZFHOSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
81.24
TPSA
46.53

LogP / Solubility

WLOGP
3.58
MLOGP
3.16
XLogP3
4.4
Consensus LogP
3.71
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.62
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)
-1.94

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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