RefChem:1053188
TL;DR: RefChem:1053188 (CAS 72766-05-3) is a chemical compound with molecular formula C14H17NO4 and molecular weight 263.12 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)butanoate
Also Known As: Methyl 2,3,4,5-tetrahydro-alpha-ethyl-5-oxo-1,4-benzoxazepine-7-acetate, 1,4-Benzoxazepine-7-acetic acid, 2,3,4,5-tetrahydro-alpha-ethyl-5-oxo-, methyl ester, methyl 2-(5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)butanoate, Methyl 2-(5-hydroxy-2,3-dihydro-1,4-benzoxazepin-7-yl)butanoate, RefChem:1053188
| Molecular Formula | C14H17NO4 |
|---|---|
| Molecular Weight | 263.12 g/mol |
| LogP | 1.4754 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.11575 |
| Heavy Atoms | 19 |
| Complexity | 498.21936 |
Chemical Identifiers
| CAS Number | 72766-05-3 |
|---|---|
| SMILES | CCC(C1=CC2=C(C=C1)OCCNC2=O)C(=O)OC |
Product Overview
RefChem:1053188 (CAS 72766-05-3), with molecular formula C14H17NO4 and molecular weight 263.12 g/mol. IUPAC: methyl 2-(5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)butanoate.
Chemical Property Profile of RefChem:1053188
Property Insights of RefChem:1053188
The XLogP value of 1.4754 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1053188. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1053188. Following Lipinski's Rule of Five, RefChem:1053188 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:1053188?
The CAS number of RefChem:1053188 is 72766-05-3.
What is the molecular formula of RefChem:1053188?
The molecular formula of RefChem:1053188 is C14H17NO4.
What is the molecular weight of RefChem:1053188?
The molecular weight of RefChem:1053188 is 263.12 g/mol.
Where can I buy RefChem:1053188?
You can request a quote for RefChem:1053188 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1053188?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1053188 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.