2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-2-methyl-
TL;DR: 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-2-methyl- (CAS 5791-00-4) is a chemical compound with molecular formula C9H8ClNO2 and molecular weight 197.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-methyl-4H-1,4-benzoxazin-3-one
Also Known As: 6-Chloro-2-methyl-2H-1,4-benzoxazin-3(4H)-one, 6-Chloro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one, 6-chloro-2-methyl-4H-1,4-benzoxazin-3-one, 6-CHLORO-2-METHYL-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE, 6-CHLORO-2-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-ONE
| Molecular Formula | C9H8ClNO2 |
|---|---|
| Molecular Weight | 197.02 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.02435 |
| Heavy Atoms | 13 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 5791-00-4 |
|---|---|
| SMILES | CC1C(=O)NC2=C(O1)C=CC(=C2)Cl |
| InChIKey | MGOCBXKZDZRPMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-2-methyl- (CAS 5791-00-4), with molecular formula C9H8ClNO2 and molecular weight 197.02 g/mol. IUPAC: 6-chloro-2-methyl-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-2-methyl-
Property Insights of 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-2-methyl-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-2-methyl-. With a topological polar surface area (TPSA) of 38.3 Ų, 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-2-methyl- 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 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-2-methyl-?
The CAS number of 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-2-methyl- is 5791-00-4.
What is the molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-2-methyl-?
The molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-2-methyl- is C9H8ClNO2.
What is the molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-2-methyl-?
The molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-2-methyl- is 197.02 g/mol.
Where can I buy 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-2-methyl-?
You can request a quote for 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.