5-chloro-3-(2-chloro-6-nitrobenzyl)-1,3-benzoxazol-2(3H)-one
TL;DR: 5-chloro-3-(2-chloro-6-nitrobenzyl)-1,3-benzoxazol-2(3H)-one (CAS 895841-69-7) is a chemical compound with molecular formula C14H8Cl2N2O4 and molecular weight 337.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3-[(2-chloro-6-nitrophenyl)methyl]-1,3-benzoxazol-2-one
Also Known As: 5-chloro-3-(2-chloro-6-nitrobenzyl)-1,3-benzoxazol-2(3H)-one, 5-chloro-3-(2-chloro-6-nitrobenzyl)benzo[d]oxazol-2(3H)-one, 5-chloro-3-[(2-chloro-6-nitrophenyl)methyl]-1,3-benzoxazol-2-one
| Molecular Formula | C14H8Cl2N2O4 |
|---|---|
| Molecular Weight | 337.99 g/mol |
| LogP | 3.8578 |
| Topological Polar Surface Area | 78.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.9861 |
| Heavy Atoms | 22 |
| Complexity | 945.6561 |
Chemical Identifiers
| CAS Number | 895841-69-7 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)CN2C3=C(C=CC(=C3)Cl)OC2=O)[N+](=O)[O-] |
Product Overview
5-chloro-3-(2-chloro-6-nitrobenzyl)-1,3-benzoxazol-2(3H)-one (CAS 895841-69-7), with molecular formula C14H8Cl2N2O4 and molecular weight 337.99 g/mol. IUPAC: 5-chloro-3-[(2-chloro-6-nitrophenyl)methyl]-1,3-benzoxazol-2-one.
Chemical Property Profile of 5-chloro-3-(2-chloro-6-nitrobenzyl)-1,3-benzoxazol-2(3H)-one
Property Insights of 5-chloro-3-(2-chloro-6-nitrobenzyl)-1,3-benzoxazol-2(3H)-one
The XLogP value of 3.8578 indicates that 5-chloro-3-(2-chloro-6-nitrobenzyl)-1,3-benzoxazol-2(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-chloro-3-(2-chloro-6-nitrobenzyl)-1,3-benzoxazol-2(3H)-one. Following Lipinski's Rule of Five, 5-chloro-3-(2-chloro-6-nitrobenzyl)-1,3-benzoxazol-2(3H)-one has 0 hydrogen bond donor(s) and 4 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 5-chloro-3-(2-chloro-6-nitrobenzyl)-1,3-benzoxazol-2(3H)-one?
The CAS number of 5-chloro-3-(2-chloro-6-nitrobenzyl)-1,3-benzoxazol-2(3H)-one is 895841-69-7.
What is the molecular formula of 5-chloro-3-(2-chloro-6-nitrobenzyl)-1,3-benzoxazol-2(3H)-one?
The molecular formula of 5-chloro-3-(2-chloro-6-nitrobenzyl)-1,3-benzoxazol-2(3H)-one is C14H8Cl2N2O4.
What is the molecular weight of 5-chloro-3-(2-chloro-6-nitrobenzyl)-1,3-benzoxazol-2(3H)-one?
The molecular weight of 5-chloro-3-(2-chloro-6-nitrobenzyl)-1,3-benzoxazol-2(3H)-one is 337.99 g/mol.
Where can I buy 5-chloro-3-(2-chloro-6-nitrobenzyl)-1,3-benzoxazol-2(3H)-one?
You can request a quote for 5-chloro-3-(2-chloro-6-nitrobenzyl)-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 5-chloro-3-(2-chloro-6-nitrobenzyl)-1,3-benzoxazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-3-(2-chloro-6-nitrobenzyl)-1,3-benzoxazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.