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CAS 83915-59-7 13-Hydroxylabda-8(17),14-dien-18-oic acid molecular structure lightbox
CAS RN: 83915-59-7

13-Hydroxylabda-8(17),14-dien-18-oic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260524 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS83915-59-7
  • Purity/Analytical Methods: >99.0%
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83915-59-7 / (1R,4aR,5S,8aR)-5-[(3R)-3-hydroxy-3-methylpent-4-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

Standard CAS: 83915-59-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
83915-59-7
Multi CAS
Yes
Molecular Formula
C20H32O3
Molecular Weight
320.500000
Exact Mass
320.235145
InChI
InChI=1S/C20H32O3/c1-6-18(3,23)13-10-15-14(2)8-9-16-19(15,4)11-7-12-20(16,5)17(21)22/h6,15-16,23H,1-2,7-13H2,3-5H3,(H,21,22)/t15-,16+,18-,19+,20+/m0/s1
InChIKey
LMODNMXJBXUOQF-KRFUXDQASA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.75
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
93.11
TPSA
57.53

LogP / Solubility

WLOGP
4.57
MLOGP
4.03
XLogP3
4.2
Consensus LogP
4.27
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.13
Class (SILICOS-IT)
Insoluble

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)
-1.43

Drug-likeness / Medicinal Chemistry

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

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