CAS RN: 69739-61-3
7-CHLORO-1,2,3,4-TETRAHYDRONAPHTHALEN-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.20250614 | 50mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS69739-61-3
- Purity/Analytical Methods: >99.0%
69739-61-3 / 7-chloro-1,2,3,4-tetrahydronaphthalen-1-ol
Basic Information
CAS
69739-61-3
Multi CAS
No
Molecular Formula
C10H11CLO
Molecular Weight
182.640000
Exact Mass
182.049843
InChI
InChI=1S/C10H11ClO/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6,10,12H,1-3H2
InChIKey
IPHXZGPPFVUBEW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.35
TPSA
20.23
LogP / Solubility
WLOGP
2.71
MLOGP
2.38
XLogP3
2.4
Consensus LogP
2.5
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.1
Class (SILICOS-IT)
Poorly 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)
-1.91
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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