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CAS 17990-16-8 (+)-cis-Abienol molecular structure lightbox
CAS RN: 17990-16-8

(+)-cis-Abienol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250422 5mg / 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS17990-16-8
  • Purity/Analytical Methods: >99.0%
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17990-16-8 / (1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-[(2Z)-3-methylpenta-2,4-dienyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol

Standard CAS: 17990-16-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17990-16-8
Multi CAS
No
Molecular Formula
C20H34O
Molecular Weight
290.500000
Exact Mass
290.260966
SMILES
C/C(=C/C[C@@H]1[C@]2(CCCC([C@@H]2CC[C@@]1(C)O)(C)C)C)/C=C
InChI
InChI=1S/C20H34O/c1-7-15(2)9-10-17-19(5)13-8-12-18(3,4)16(19)11-14-20(17,6)21/h7,9,16-17,21H,1,8,10-14H2,2-6H3/b15-9-/t16-,17+,19-,20+/m0/s1
InChIKey
ZAZVCYBIABTSJR-SZAPHMHZSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
91.15
TPSA
20.23

LogP / Solubility

WLOGP
5.5
MLOGP
4.85
XLogP3
6.4
Consensus LogP
5.58
Log S (ESOL)
-4.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.48
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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