CAS RN: 175464-51-4
3-(ChloroMethyl)benzylalcohol
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.20250129 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS175464-51-4
- Purity/Analytical Methods: >99.0%
175464-51-4 / [3-(chloromethyl)phenyl]methanol
Basic Information
CAS
175464-51-4
Multi CAS
No
Molecular Formula
C8H9ClO
Molecular Weight
156.610000
Exact Mass
156.034193
SMILES
C1=CC(=CC(=C1)CCl)CO
InChI
InChI=1S/C8H9ClO/c9-5-7-2-1-3-8(4-7)6-10/h1-4,10H,5-6H2
InChIKey
ITAQTOPTBMDQGK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.92
TPSA
20.23
LogP / Solubility
WLOGP
1.92
MLOGP
1.68
XLogP3
1.4
Consensus LogP
1.67
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately 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)
-2.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
(S)-2-Acetamido-N-benzyl-3-methoxypropanamide
- CAS RN: 175481-37-5
- Product Code: SSC-076998
-
-
-
Ginsenoside MC
- CAS RN: 175484-06-7
- Product Code: starshine_CAS175484-06-7
- Purity/Analytical method: >99.0%
