5,6-Dichloro-2(3H)-benzoxazolone
TL;DR: 5,6-Dichloro-2(3H)-benzoxazolone (CAS 5285-41-6) is a chemical compound with molecular formula C7H3Cl2NO2 and molecular weight 202.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dichloro-3H-1,3-benzoxazol-2-one
Also Known As: 5,6-Dichlorobenzoxazol-2(3H)-one, 5,6-dichlorobenzo[d]oxazol-2(3H)-one, 5,6-Dichloro-2-benzoxazolinone, 5,6-dichloro-3H-1,3-benzoxazol-2-one, 2-BENZOXAZOLINONE, 5,6-DICHLORO-
| Molecular Formula | C7H3Cl2NO2 |
|---|---|
| Molecular Weight | 202.95 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 202.95409 |
| Heavy Atoms | 12 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 5285-41-6 |
|---|---|
| SMILES | C1=C2C(=CC(=C1Cl)Cl)OC(=O)N2 |
| InChIKey | WLWRBOFZMOBYJR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,6-Dichloro-2(3H)-benzoxazolone (CAS 5285-41-6), with molecular formula C7H3Cl2NO2 and molecular weight 202.95 g/mol. IUPAC: 5,6-dichloro-3H-1,3-benzoxazol-2-one.
Chemical Property Profile of 5,6-Dichloro-2(3H)-benzoxazolone
Property Insights of 5,6-Dichloro-2(3H)-benzoxazolone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-Dichloro-2(3H)-benzoxazolone. With a topological polar surface area (TPSA) of 38.3 Ų, 5,6-Dichloro-2(3H)-benzoxazolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-Dichloro-2(3H)-benzoxazolone has 1 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 5,6-Dichloro-2(3H)-benzoxazolone?
The CAS number of 5,6-Dichloro-2(3H)-benzoxazolone is 5285-41-6.
What is the molecular formula of 5,6-Dichloro-2(3H)-benzoxazolone?
The molecular formula of 5,6-Dichloro-2(3H)-benzoxazolone is C7H3Cl2NO2.
What is the molecular weight of 5,6-Dichloro-2(3H)-benzoxazolone?
The molecular weight of 5,6-Dichloro-2(3H)-benzoxazolone is 202.95 g/mol.
Where can I buy 5,6-Dichloro-2(3H)-benzoxazolone?
You can request a quote for 5,6-Dichloro-2(3H)-benzoxazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-Dichloro-2(3H)-benzoxazolone?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Dichloro-2(3H)-benzoxazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.