RefChem:220136
TL;DR: RefChem:220136 (CAS 72766-04-2) is a chemical compound with molecular formula C12H12ClNO4 and molecular weight 269.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(9-chloro-5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)acetate
Also Known As: 1,4-Benzoxazepine-7-acetic acid, 2,3,4,5-tetrahydro-9-chloro-5-oxo-, methyl ester, Methyl 2,3,4,5-tetrahydro-9-chloro-5-oxo-1,4-benzoxazepine-7-acetate, Methyl (9-chloro-5-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)acetate, methyl 2-(9-chloro-5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)acetate, BRN 1128312
| Molecular Formula | C12H12ClNO4 |
|---|---|
| Molecular Weight | 269.05 g/mol |
| LogP | 1.1777 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.04547 |
| Heavy Atoms | 18 |
| Complexity | 501.09595 |
Chemical Identifiers
| CAS Number | 72766-04-2 |
|---|---|
| SMILES | COC(=O)CC1=CC2=C(C(=C1)Cl)OCCNC2=O |
Product Overview
RefChem:220136 (CAS 72766-04-2), with molecular formula C12H12ClNO4 and molecular weight 269.05 g/mol. IUPAC: methyl 2-(9-chloro-5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)acetate.
Chemical Property Profile of RefChem:220136
Property Insights of RefChem:220136
The XLogP value of 1.1777 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:220136. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:220136. Following Lipinski's Rule of Five, RefChem:220136 has 1 hydrogen bond donor(s) and 4 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 RefChem:220136?
The CAS number of RefChem:220136 is 72766-04-2.
What is the molecular formula of RefChem:220136?
The molecular formula of RefChem:220136 is C12H12ClNO4.
What is the molecular weight of RefChem:220136?
The molecular weight of RefChem:220136 is 269.05 g/mol.
Where can I buy RefChem:220136?
You can request a quote for RefChem:220136 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:220136?
Yes, KEHONG BIO provides custom synthesis services for RefChem:220136 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.