3-Chloro-6-methyl-6,7-dihydro-9H-5-oxa-9-azabenzocyclohepten-8-one
TL;DR: 3-Chloro-6-methyl-6,7-dihydro-9H-5-oxa-9-azabenzocyclohepten-8-one (CAS 134076-61-2) is a chemical compound with molecular formula C10H10ClNO2 and molecular weight 211.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
Also Known As: 3-Chloro-6-methyl-6,7-dihydro-9H-5-oxa-9-azabenzocyclohepten-8-one, 8-chloro-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one, 8-Chloro-2-methyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one, 8-Chloro-2-methyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one #, RefChem:278487
| Molecular Formula | C10H10ClNO2 |
|---|---|
| Molecular Weight | 211.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 211.04001 |
| Heavy Atoms | 14 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 134076-61-2 |
|---|---|
| SMILES | CC1CC(=O)NC2=C(O1)C=C(C=C2)Cl |
| InChIKey | OBYMSPNSAICJJD-UHFFFAOYSA-N |
Product Overview
3-Chloro-6-methyl-6,7-dihydro-9H-5-oxa-9-azabenzocyclohepten-8-one (CAS 134076-61-2), with molecular formula C10H10ClNO2 and molecular weight 211.04 g/mol. IUPAC: 8-chloro-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one.
Chemical Property Profile of 3-Chloro-6-methyl-6,7-dihydro-9H-5-oxa-9-azabenzocyclohepten-8-one
Property Insights of 3-Chloro-6-methyl-6,7-dihydro-9H-5-oxa-9-azabenzocyclohepten-8-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-6-methyl-6,7-dihydro-9H-5-oxa-9-azabenzocyclohepten-8-one. With a topological polar surface area (TPSA) of 38.3 Ų, 3-Chloro-6-methyl-6,7-dihydro-9H-5-oxa-9-azabenzocyclohepten-8-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-6-methyl-6,7-dihydro-9H-5-oxa-9-azabenzocyclohepten-8-one 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 3-Chloro-6-methyl-6,7-dihydro-9H-5-oxa-9-azabenzocyclohepten-8-one?
The CAS number of 3-Chloro-6-methyl-6,7-dihydro-9H-5-oxa-9-azabenzocyclohepten-8-one is 134076-61-2.
What is the molecular formula of 3-Chloro-6-methyl-6,7-dihydro-9H-5-oxa-9-azabenzocyclohepten-8-one?
The molecular formula of 3-Chloro-6-methyl-6,7-dihydro-9H-5-oxa-9-azabenzocyclohepten-8-one is C10H10ClNO2.
What is the molecular weight of 3-Chloro-6-methyl-6,7-dihydro-9H-5-oxa-9-azabenzocyclohepten-8-one?
The molecular weight of 3-Chloro-6-methyl-6,7-dihydro-9H-5-oxa-9-azabenzocyclohepten-8-one is 211.04 g/mol.
Where can I buy 3-Chloro-6-methyl-6,7-dihydro-9H-5-oxa-9-azabenzocyclohepten-8-one?
You can request a quote for 3-Chloro-6-methyl-6,7-dihydro-9H-5-oxa-9-azabenzocyclohepten-8-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-6-methyl-6,7-dihydro-9H-5-oxa-9-azabenzocyclohepten-8-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-6-methyl-6,7-dihydro-9H-5-oxa-9-azabenzocyclohepten-8-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.