1,4-Benzoxazepine-7-acetic acid, 2,3,4,5-tetrahydro-5-oxo-, methyl ester
TL;DR: 1,4-Benzoxazepine-7-acetic acid, 2,3,4,5-tetrahydro-5-oxo-, methyl ester (CAS 72766-02-0) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)acetate
Also Known As: Methyl 2,3,4,5-tetrahydro-5-oxo-1,4-benzoxazepine-7-acetate, 1,4-Benzoxazepine-7-acetic acid, 2,3,4,5-tetrahydro-5-oxo-, methyl ester, methyl 2-(5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)acetate, Methyl (5-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)acetate, BRN 1122443
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 0.5243 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 455.81888 |
Chemical Identifiers
| CAS Number | 72766-02-0 |
|---|---|
| SMILES | COC(=O)CC1=CC2=C(C=C1)OCCNC2=O |
Product Overview
1,4-Benzoxazepine-7-acetic acid, 2,3,4,5-tetrahydro-5-oxo-, methyl ester (CAS 72766-02-0), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: methyl 2-(5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)acetate.
Chemical Property Profile of 1,4-Benzoxazepine-7-acetic acid, 2,3,4,5-tetrahydro-5-oxo-, methyl ester
Property Insights of 1,4-Benzoxazepine-7-acetic acid, 2,3,4,5-tetrahydro-5-oxo-, methyl ester
The XLogP value of 0.5243 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzoxazepine-7-acetic acid, 2,3,4,5-tetrahydro-5-oxo-, methyl ester. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Benzoxazepine-7-acetic acid, 2,3,4,5-tetrahydro-5-oxo-, methyl ester. Following Lipinski's Rule of Five, 1,4-Benzoxazepine-7-acetic acid, 2,3,4,5-tetrahydro-5-oxo-, methyl ester 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 1,4-Benzoxazepine-7-acetic acid, 2,3,4,5-tetrahydro-5-oxo-, methyl ester?
The CAS number of 1,4-Benzoxazepine-7-acetic acid, 2,3,4,5-tetrahydro-5-oxo-, methyl ester is 72766-02-0.
What is the molecular formula of 1,4-Benzoxazepine-7-acetic acid, 2,3,4,5-tetrahydro-5-oxo-, methyl ester?
The molecular formula of 1,4-Benzoxazepine-7-acetic acid, 2,3,4,5-tetrahydro-5-oxo-, methyl ester is C12H13NO4.
What is the molecular weight of 1,4-Benzoxazepine-7-acetic acid, 2,3,4,5-tetrahydro-5-oxo-, methyl ester?
The molecular weight of 1,4-Benzoxazepine-7-acetic acid, 2,3,4,5-tetrahydro-5-oxo-, methyl ester is 235.08 g/mol.
Where can I buy 1,4-Benzoxazepine-7-acetic acid, 2,3,4,5-tetrahydro-5-oxo-, methyl ester?
You can request a quote for 1,4-Benzoxazepine-7-acetic acid, 2,3,4,5-tetrahydro-5-oxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzoxazepine-7-acetic acid, 2,3,4,5-tetrahydro-5-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzoxazepine-7-acetic acid, 2,3,4,5-tetrahydro-5-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.