CAS RN: 24033-03-2
1-BENZYLOXY-3-CHLOROMETHYL-BENZENE
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.20260212 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS24033-03-2
- Purity/Analytical Methods: >99.0%
24033-03-2 / 1-(chloromethyl)-4-phenylmethoxybenzene
Basic Information
CAS
24033-03-2
Multi CAS
No
Molecular Formula
C14H13ClO
Molecular Weight
232.700000
Exact Mass
232.065493
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)CCl
InChI
InChI=1S/C14H13ClO/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h1-9H,10-11H2
InChIKey
MKXVKELDRLNWGV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
66.77
TPSA
9.23
LogP / Solubility
WLOGP
4
MLOGP
3.53
XLogP3
3.6
Consensus LogP
3.71
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.98
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
