(6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid
TL;DR: (6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid (CAS 19739-40-3) is a chemical compound with molecular formula C9H6ClNO4 and molecular weight 227.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetic acid
Also Known As: (6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid, 3(2H)-Benzoxazoleacetic acid, 6-chloro-2-oxo-, BAS 10307594, 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetic acid, N-carboxymethyl-6-chloro-2-benzoxazolone
| Molecular Formula | C9H6ClNO4 |
|---|---|
| Molecular Weight | 227.00 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.99854 |
| Heavy Atoms | 15 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 19739-40-3 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)OC(=O)N2CC(=O)O |
| InChIKey | GZVFFZYANBZGHW-UHFFFAOYSA-N |
Product Overview
(6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid (CAS 19739-40-3), with molecular formula C9H6ClNO4 and molecular weight 227.00 g/mol. IUPAC: 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetic acid.
Chemical Property Profile of (6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid
Property Insights of (6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid. Following Lipinski's Rule of Five, (6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid 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 (6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid?
The CAS number of (6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid is 19739-40-3.
What is the molecular formula of (6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid?
The molecular formula of (6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid is C9H6ClNO4.
What is the molecular weight of (6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid?
The molecular weight of (6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid is 227.00 g/mol.
Where can I buy (6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid?
You can request a quote for (6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.