![3-(2-chlorobenzoyl)-6-nitrobenzo[d]oxazol-2(3H)-one structure](/static/products/300/300689-86-5.png)
3-(2-chlorobenzoyl)-6-nitrobenzo[d]oxazol-2(3H)-one
TL;DR: 3-(2-chlorobenzoyl)-6-nitrobenzo[d]oxazol-2(3H)-one (CAS 300689-86-5) is a chemical compound with molecular formula C14H7ClN2O5 and molecular weight 318.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorobenzoyl)-6-nitro-1,3-benzoxazol-2-one
Also Known As: BAS 00096964, 3-(2-chlorobenzoyl)-6-nitro-1,3-benzoxazol-2-one, 3-(2-chlorobenzoyl)-6-nitrobenzo[d]oxazol-2(3H)-one, 3-(2-chlorobenzoyl)-6-nitro-2(3h)-benzoxazolone, 3-(2-Chloro-benzoyl)-6-nitro-3H-benzooxazol-2-one
| Molecular Formula | C14H7ClN2O5 |
|---|---|
| Molecular Weight | 318.00 g/mol |
| LogP | 2.8446 |
| Topological Polar Surface Area | 95.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.00436 |
| Heavy Atoms | 22 |
| Complexity | 972.7688 |
Chemical Identifiers
| CAS Number | 300689-86-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)N2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)Cl |
Product Overview
3-(2-chlorobenzoyl)-6-nitrobenzo[d]oxazol-2(3H)-one (CAS 300689-86-5), with molecular formula C14H7ClN2O5 and molecular weight 318.00 g/mol. IUPAC: 3-(2-chlorobenzoyl)-6-nitro-1,3-benzoxazol-2-one.
Chemical Property Profile of 3-(2-chlorobenzoyl)-6-nitrobenzo[d]oxazol-2(3H)-one
Property Insights of 3-(2-chlorobenzoyl)-6-nitrobenzo[d]oxazol-2(3H)-one
The XLogP value of 2.8446 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-chlorobenzoyl)-6-nitrobenzo[d]oxazol-2(3H)-one. The TPSA of 95.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-chlorobenzoyl)-6-nitrobenzo[d]oxazol-2(3H)-one. Following Lipinski's Rule of Five, 3-(2-chlorobenzoyl)-6-nitrobenzo[d]oxazol-2(3H)-one has 0 hydrogen bond donor(s) and 5 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-chlorobenzoyl)-6-nitrobenzo[d]oxazol-2(3H)-one?
The CAS number of 3-(2-chlorobenzoyl)-6-nitrobenzo[d]oxazol-2(3H)-one is 300689-86-5.
What is the molecular formula of 3-(2-chlorobenzoyl)-6-nitrobenzo[d]oxazol-2(3H)-one?
The molecular formula of 3-(2-chlorobenzoyl)-6-nitrobenzo[d]oxazol-2(3H)-one is C14H7ClN2O5.
What is the molecular weight of 3-(2-chlorobenzoyl)-6-nitrobenzo[d]oxazol-2(3H)-one?
The molecular weight of 3-(2-chlorobenzoyl)-6-nitrobenzo[d]oxazol-2(3H)-one is 318.00 g/mol.
Where can I buy 3-(2-chlorobenzoyl)-6-nitrobenzo[d]oxazol-2(3H)-one?
You can request a quote for 3-(2-chlorobenzoyl)-6-nitrobenzo[d]oxazol-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-chlorobenzoyl)-6-nitrobenzo[d]oxazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-chlorobenzoyl)-6-nitrobenzo[d]oxazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.