CAS RN: 56541-64-1
2-Chloro-3-hydrocynaphthalene
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.20260421 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS56541-64-1
- Purity/Analytical Methods: >99.0%
56541-64-1 / 3-chloronaphthalen-2-ol
Basic Information
CAS
56541-64-1
Multi CAS
No
Molecular Formula
C10H7CLO
Molecular Weight
178.610000
Exact Mass
178.018543
InChI
InChI=1S/C10H7ClO/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6,12H
InChIKey
BWVAMAOLWZGQDA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.62
TPSA
20.23
LogP / Solubility
WLOGP
3.2
MLOGP
2.81
XLogP3
3.5
Consensus LogP
3.17
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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- Purity/Analytical method: >99.0%
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