2-Benzoxazolinone, 5-chloro-3-methyl-
TL;DR: 2-Benzoxazolinone, 5-chloro-3-methyl- (CAS 5790-90-9) is a chemical compound with molecular formula C8H6ClNO2 and molecular weight 183.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3-methyl-1,3-benzoxazol-2-one
Also Known As: 5-Chloro-3-Methylbenzo[d]oxazol-2(3H)-one, 2-BENZOXAZOLINONE, 5-CHLORO-3-METHYL-, 5-Chloro-3-methylbenzoxazol-2(3H)-one, 5-Chloro-3-methyl-2-benzoxazolinone, 5-chloro-3-methyl-1,3-benzoxazol-2-one
| Molecular Formula | C8H6ClNO2 |
|---|---|
| Molecular Weight | 183.01 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 183.00871 |
| Heavy Atoms | 12 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 5790-90-9 |
|---|---|
| SMILES | CN1C2=C(C=CC(=C2)Cl)OC1=O |
| InChIKey | VORWOQGVKPXSCM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzoxazolinone, 5-chloro-3-methyl- (CAS 5790-90-9), with molecular formula C8H6ClNO2 and molecular weight 183.01 g/mol. IUPAC: 5-chloro-3-methyl-1,3-benzoxazol-2-one.
Chemical Property Profile of 2-Benzoxazolinone, 5-chloro-3-methyl-
Property Insights of 2-Benzoxazolinone, 5-chloro-3-methyl-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzoxazolinone, 5-chloro-3-methyl-. With a topological polar surface area (TPSA) of 29.5 Ų, 2-Benzoxazolinone, 5-chloro-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzoxazolinone, 5-chloro-3-methyl- 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 2-Benzoxazolinone, 5-chloro-3-methyl-?
The CAS number of 2-Benzoxazolinone, 5-chloro-3-methyl- is 5790-90-9.
What is the molecular formula of 2-Benzoxazolinone, 5-chloro-3-methyl-?
The molecular formula of 2-Benzoxazolinone, 5-chloro-3-methyl- is C8H6ClNO2.
What is the molecular weight of 2-Benzoxazolinone, 5-chloro-3-methyl-?
The molecular weight of 2-Benzoxazolinone, 5-chloro-3-methyl- is 183.01 g/mol.
Where can I buy 2-Benzoxazolinone, 5-chloro-3-methyl-?
You can request a quote for 2-Benzoxazolinone, 5-chloro-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzoxazolinone, 5-chloro-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzoxazolinone, 5-chloro-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.