CAS RN: 1438-62-6
1-Naphthalenepropanol,.alp
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260130 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS1438-62-6
- Purity/Analytical Methods: >99.0%
1438-62-6 / (3S)-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-1-en-3-ol
Basic Information
CAS
1438-62-6
Multi CAS
No
Molecular Formula
C20H34O
Molecular Weight
290.500000
Exact Mass
290.260966
SMILES
C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2CC[C@@](C)(C=C)O)(C)C
InChI
InChI=1S/C20H34O/c1-7-19(5,21)14-11-16-15(2)9-10-17-18(3,4)12-8-13-20(16,17)6/h7,16-17,21H,1-2,8-14H2,3-6H3/t16-,17-,19+,20+/m0/s1
InChIKey
CECREIRZLPLYDM-RAUXBKROSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
91.15
TPSA
20.23
LogP / Solubility
WLOGP
5.5
MLOGP
4.85
XLogP3
5.7
Consensus LogP
5.35
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.6
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
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- CAS RN: 1438-79-5
- Product Code: starshine_CAS1438-79-5
- Purity/Analytical method: >99.0%
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