![3-(6-Chloro-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-propionic acid structure](/static/products/957/957290-76-5.png)
3-(6-Chloro-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-propionic acid
TL;DR: 3-(6-Chloro-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-propionic acid (CAS 957290-76-5) is a chemical compound with molecular formula C11H10ClNO4 and molecular weight 255.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)propanoic acid
Also Known As: 3-(6-Chloro-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-propionic acid, 6-chloro-2,3-dihydro-3-oxo-4h-1,4-benzoxazine-4-propionic acid, 3-(6-chloro-2h-1,4-benzoxazin-3(4h)-one-4-yl)propionic acid, 3-(6-Chloro-3-oxo-2H-benzo[b][1,4]oxazin-4(3H)-yl)propanoic acid, 1225AE
| Molecular Formula | C11H10ClNO4 |
|---|---|
| Molecular Weight | 255.03 g/mol |
| LogP | 1.5401 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.02983 |
| Heavy Atoms | 17 |
| Complexity | 474.53928 |
Chemical Identifiers
| CAS Number | 957290-76-5 |
|---|---|
| SMILES | C1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CCC(=O)O |
Product Overview
3-(6-Chloro-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-propionic acid (CAS 957290-76-5), with molecular formula C11H10ClNO4 and molecular weight 255.03 g/mol. IUPAC: 3-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)propanoic acid.
Chemical Property Profile of 3-(6-Chloro-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-propionic acid
Property Insights of 3-(6-Chloro-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-propionic acid
The XLogP value of 1.5401 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(6-Chloro-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-propionic acid. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(6-Chloro-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-propionic acid. Following Lipinski's Rule of Five, 3-(6-Chloro-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-propionic acid has 1 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 3-(6-Chloro-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-propionic acid?
The CAS number of 3-(6-Chloro-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-propionic acid is 957290-76-5.
What is the molecular formula of 3-(6-Chloro-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-propionic acid?
The molecular formula of 3-(6-Chloro-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-propionic acid is C11H10ClNO4.
What is the molecular weight of 3-(6-Chloro-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-propionic acid?
The molecular weight of 3-(6-Chloro-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-propionic acid is 255.03 g/mol.
Where can I buy 3-(6-Chloro-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-propionic acid?
You can request a quote for 3-(6-Chloro-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(6-Chloro-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(6-Chloro-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.