7-Chloro-1-methyl-4,1-benzoxazepine-2,5-dione
TL;DR: 7-Chloro-1-methyl-4,1-benzoxazepine-2,5-dione (CAS 3455-20-7) is a chemical compound with molecular formula C10H8ClNO3 and molecular weight 225.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-1-methyl-4,1-benzoxazepine-2,5-dione
Also Known As: 7-chloro-1-methyl-4,1-benzoxazepine-2,5-dione, 7-CHLORO-1-METHYL-4,1-BENZOXAZEPINE-2,5(1H,3H)-DIONE, 4,1-Benzoxazepine-2,5(1H,3H)-dione, 7-chloro-1-methyl-
| Molecular Formula | C10H8ClNO3 |
|---|---|
| Molecular Weight | 225.02 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 225.01927 |
| Heavy Atoms | 15 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 3455-20-7 |
|---|---|
| SMILES | CN1C(=O)COC(=O)C2=C1C=CC(=C2)Cl |
| InChIKey | BLSASBFGFYBDEO-UHFFFAOYSA-N |
Product Overview
7-Chloro-1-methyl-4,1-benzoxazepine-2,5-dione (CAS 3455-20-7), with molecular formula C10H8ClNO3 and molecular weight 225.02 g/mol. IUPAC: 7-chloro-1-methyl-4,1-benzoxazepine-2,5-dione.
Chemical Property Profile of 7-Chloro-1-methyl-4,1-benzoxazepine-2,5-dione
Property Insights of 7-Chloro-1-methyl-4,1-benzoxazepine-2,5-dione
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Chloro-1-methyl-4,1-benzoxazepine-2,5-dione. With a topological polar surface area (TPSA) of 46.6 Ų, 7-Chloro-1-methyl-4,1-benzoxazepine-2,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chloro-1-methyl-4,1-benzoxazepine-2,5-dione has 0 hydrogen bond donor(s) and 3 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 7-Chloro-1-methyl-4,1-benzoxazepine-2,5-dione?
The CAS number of 7-Chloro-1-methyl-4,1-benzoxazepine-2,5-dione is 3455-20-7.
What is the molecular formula of 7-Chloro-1-methyl-4,1-benzoxazepine-2,5-dione?
The molecular formula of 7-Chloro-1-methyl-4,1-benzoxazepine-2,5-dione is C10H8ClNO3.
What is the molecular weight of 7-Chloro-1-methyl-4,1-benzoxazepine-2,5-dione?
The molecular weight of 7-Chloro-1-methyl-4,1-benzoxazepine-2,5-dione is 225.02 g/mol.
Where can I buy 7-Chloro-1-methyl-4,1-benzoxazepine-2,5-dione?
You can request a quote for 7-Chloro-1-methyl-4,1-benzoxazepine-2,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Chloro-1-methyl-4,1-benzoxazepine-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-1-methyl-4,1-benzoxazepine-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.