CAS RN: 69904-85-4
(S)-5,6,7,8-Tetrahydro-4,5-dimethyl-3-(1-methylethenyl)naphthalen-1-ol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260505 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS69904-85-4
- Purity/Analytical Methods: >99.0%
69904-85-4 / 4,5-dimethyl-3-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-1-ol
Basic Information
CAS
69904-85-4
Multi CAS
Yes
Molecular Formula
C15H20O
Molecular Weight
216.320000
Exact Mass
216.151415
InChI
InChI=1S/C15H20O/c1-9(2)13-8-14(16)12-7-5-6-10(3)15(12)11(13)4/h8,10,16H,1,5-7H2,2-4H3
InChIKey
BPASRCZOCLQESM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
68.9
TPSA
20.23
LogP / Solubility
WLOGP
4.17
MLOGP
3.67
XLogP3
5
Consensus LogP
4.28
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
Class (SILICOS-IT)
Slightly soluble
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)
-1.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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- CAS RN: 69912-63-6
- Product Code: starshine_CAS69912-63-6
- Purity/Analytical method: >99.0%
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