(6-Amino-2-oxo-benzooxazol-3-yl)-acetic acid methyl ester
TL;DR: (6-Amino-2-oxo-benzooxazol-3-yl)-acetic acid methyl ester (CAS 144693-65-2) is a chemical compound with molecular formula C10H10N2O4 and molecular weight 222.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetate
Also Known As: (6-Amino-2-oxo-benzooxazol-3-yl)-acetic acid methyl ester, 4-Ethynyl-benzoic acid sodium salt, methyl 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetate, methyl 2-(6-amino-2-oxobenzo[d]oxazol-3(2H)-yl)acetate, ASN 16348661
| Molecular Formula | C10H10N2O4 |
|---|---|
| Molecular Weight | 222.06 g/mol |
| LogP | 0.3497 |
| Topological Polar Surface Area | 87.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.06406 |
| Heavy Atoms | 16 |
| Complexity | 596.3751 |
Chemical Identifiers
| CAS Number | 144693-65-2 |
|---|---|
| SMILES | COC(=O)CN1C2=C(C=C(C=C2)N)OC1=O |
Product Overview
(6-Amino-2-oxo-benzooxazol-3-yl)-acetic acid methyl ester (CAS 144693-65-2), with molecular formula C10H10N2O4 and molecular weight 222.06 g/mol. IUPAC: methyl 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetate.
Chemical Property Profile of (6-Amino-2-oxo-benzooxazol-3-yl)-acetic acid methyl ester
Property Insights of (6-Amino-2-oxo-benzooxazol-3-yl)-acetic acid methyl ester
The XLogP value of 0.3497 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-Amino-2-oxo-benzooxazol-3-yl)-acetic acid methyl ester. The TPSA of 87.46 Ų falls within the moderate polarity range, balancing permeability and solubility for (6-Amino-2-oxo-benzooxazol-3-yl)-acetic acid methyl ester. Following Lipinski's Rule of Five, (6-Amino-2-oxo-benzooxazol-3-yl)-acetic acid methyl ester has 1 hydrogen bond donor(s) and 5 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-Amino-2-oxo-benzooxazol-3-yl)-acetic acid methyl ester?
The CAS number of (6-Amino-2-oxo-benzooxazol-3-yl)-acetic acid methyl ester is 144693-65-2.
What is the molecular formula of (6-Amino-2-oxo-benzooxazol-3-yl)-acetic acid methyl ester?
The molecular formula of (6-Amino-2-oxo-benzooxazol-3-yl)-acetic acid methyl ester is C10H10N2O4.
What is the molecular weight of (6-Amino-2-oxo-benzooxazol-3-yl)-acetic acid methyl ester?
The molecular weight of (6-Amino-2-oxo-benzooxazol-3-yl)-acetic acid methyl ester is 222.06 g/mol.
Where can I buy (6-Amino-2-oxo-benzooxazol-3-yl)-acetic acid methyl ester?
You can request a quote for (6-Amino-2-oxo-benzooxazol-3-yl)-acetic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-Amino-2-oxo-benzooxazol-3-yl)-acetic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for (6-Amino-2-oxo-benzooxazol-3-yl)-acetic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.