1,2-Benzisoxazole-2(3H)-carboxylic acid, 3-oxo-, ethyl ester
TL;DR: 1,2-Benzisoxazole-2(3H)-carboxylic acid, 3-oxo-, ethyl ester (CAS 70964-65-7) is a chemical compound with molecular formula C10H9NO4 and molecular weight 207.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-oxo-1,2-benzoxazole-2-carboxylate
Also Known As: ethyl 3-oxo-1,2-benzoxazole-2(3h)-carboxylate, 2-Etoksykarbonylobenzoizoksazolinon-3, 2-Etoksykarbonylobenzoizoksazolinon-3 [Polish], 3H-2,1-Benzoxathiole-7-carbonylchloride,3-oxo, ethyl 3-oxo-1,2-benzoxazole-2-carboxylate
| Molecular Formula | C10H9NO4 |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.05316 |
| Heavy Atoms | 15 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 70964-65-7 |
|---|---|
| SMILES | CCOC(=O)N1C(=O)C2=CC=CC=C2O1 |
| InChIKey | IBTAJIMCRCZHRC-UHFFFAOYSA-N |
Product Overview
1,2-Benzisoxazole-2(3H)-carboxylic acid, 3-oxo-, ethyl ester (CAS 70964-65-7), with molecular formula C10H9NO4 and molecular weight 207.05 g/mol. IUPAC: ethyl 3-oxo-1,2-benzoxazole-2-carboxylate.
Chemical Property Profile of 1,2-Benzisoxazole-2(3H)-carboxylic acid, 3-oxo-, ethyl ester
Property Insights of 1,2-Benzisoxazole-2(3H)-carboxylic acid, 3-oxo-, ethyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzisoxazole-2(3H)-carboxylic acid, 3-oxo-, ethyl ester. With a topological polar surface area (TPSA) of 55.8 Ų, 1,2-Benzisoxazole-2(3H)-carboxylic acid, 3-oxo-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzisoxazole-2(3H)-carboxylic acid, 3-oxo-, ethyl ester has 0 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 1,2-Benzisoxazole-2(3H)-carboxylic acid, 3-oxo-, ethyl ester?
The CAS number of 1,2-Benzisoxazole-2(3H)-carboxylic acid, 3-oxo-, ethyl ester is 70964-65-7.
What is the molecular formula of 1,2-Benzisoxazole-2(3H)-carboxylic acid, 3-oxo-, ethyl ester?
The molecular formula of 1,2-Benzisoxazole-2(3H)-carboxylic acid, 3-oxo-, ethyl ester is C10H9NO4.
What is the molecular weight of 1,2-Benzisoxazole-2(3H)-carboxylic acid, 3-oxo-, ethyl ester?
The molecular weight of 1,2-Benzisoxazole-2(3H)-carboxylic acid, 3-oxo-, ethyl ester is 207.05 g/mol.
Where can I buy 1,2-Benzisoxazole-2(3H)-carboxylic acid, 3-oxo-, ethyl ester?
You can request a quote for 1,2-Benzisoxazole-2(3H)-carboxylic acid, 3-oxo-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzisoxazole-2(3H)-carboxylic acid, 3-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzisoxazole-2(3H)-carboxylic acid, 3-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.