3-(2-chlorobenzyl)-1,3-benzoxazol-2(3H)-one
TL;DR: 3-(2-chlorobenzyl)-1,3-benzoxazol-2(3H)-one (CAS 609335-17-3) is a chemical compound with molecular formula C14H10ClNO2 and molecular weight 259.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chlorophenyl)methyl]-1,3-benzoxazol-2-one
Also Known As: 3-(2-chlorobenzyl)-1,3-benzoxazol-2(3H)-one, TimTec1_007970, 3-[(2-chlorophenyl)methyl]-1,3-benzoxazol-2-one, IDI1_033624, UPCMLD0ENAT5446390:001
| Molecular Formula | C14H10ClNO2 |
|---|---|
| Molecular Weight | 259.04 g/mol |
| LogP | 3.2962 |
| Topological Polar Surface Area | 35.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.04 |
| Heavy Atoms | 18 |
| Complexity | 757.575 |
Chemical Identifiers
| CAS Number | 609335-17-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN2C3=CC=CC=C3OC2=O)Cl |
Product Overview
3-(2-chlorobenzyl)-1,3-benzoxazol-2(3H)-one (CAS 609335-17-3), with molecular formula C14H10ClNO2 and molecular weight 259.04 g/mol. IUPAC: 3-[(2-chlorophenyl)methyl]-1,3-benzoxazol-2-one.
Chemical Property Profile of 3-(2-chlorobenzyl)-1,3-benzoxazol-2(3H)-one
Property Insights of 3-(2-chlorobenzyl)-1,3-benzoxazol-2(3H)-one
The XLogP value of 3.2962 indicates that 3-(2-chlorobenzyl)-1,3-benzoxazol-2(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.14 Ų, 3-(2-chlorobenzyl)-1,3-benzoxazol-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-chlorobenzyl)-1,3-benzoxazol-2(3H)-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2-chlorobenzyl)-1,3-benzoxazol-2(3H)-one?
The CAS number of 3-(2-chlorobenzyl)-1,3-benzoxazol-2(3H)-one is 609335-17-3.
What is the molecular formula of 3-(2-chlorobenzyl)-1,3-benzoxazol-2(3H)-one?
The molecular formula of 3-(2-chlorobenzyl)-1,3-benzoxazol-2(3H)-one is C14H10ClNO2.
What is the molecular weight of 3-(2-chlorobenzyl)-1,3-benzoxazol-2(3H)-one?
The molecular weight of 3-(2-chlorobenzyl)-1,3-benzoxazol-2(3H)-one is 259.04 g/mol.
Where can I buy 3-(2-chlorobenzyl)-1,3-benzoxazol-2(3H)-one?
You can request a quote for 3-(2-chlorobenzyl)-1,3-benzoxazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-chlorobenzyl)-1,3-benzoxazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-chlorobenzyl)-1,3-benzoxazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.