2-Benzoxazoleacetic acid, ethyl ester
TL;DR: 2-Benzoxazoleacetic acid, ethyl ester (CAS 16105-44-5) is a chemical compound with molecular formula C11H11NO3 and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1,3-benzoxazol-2-yl)acetate
Also Known As: Ethyl 2-(benzo[d]oxazol-2-yl)acetate, 2-Benzoxazoleacetic acid, ethyl ester, ethyl benzoxazol-2-ylacetate, ethyl 2-(1,3-benzoxazol-2-yl)acetate, ChemDiv3_005643
| Molecular Formula | C11H11NO3 |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 1.9334 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.0739 |
| Heavy Atoms | 15 |
| Complexity | 442.3927 |
Chemical Identifiers
| CAS Number | 16105-44-5 |
|---|---|
| SMILES | CCOC(=O)CC1=NC2=CC=CC=C2O1 |
Product Overview
2-Benzoxazoleacetic acid, ethyl ester (CAS 16105-44-5), with molecular formula C11H11NO3 and molecular weight 205.07 g/mol. IUPAC: ethyl 2-(1,3-benzoxazol-2-yl)acetate.
Chemical Property Profile of 2-Benzoxazoleacetic acid, ethyl ester
Property Insights of 2-Benzoxazoleacetic acid, ethyl ester
The XLogP value of 1.9334 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzoxazoleacetic acid, ethyl ester. With a topological polar surface area (TPSA) of 52.33 Ų, 2-Benzoxazoleacetic acid, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzoxazoleacetic acid, 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 2-Benzoxazoleacetic acid, ethyl ester?
The CAS number of 2-Benzoxazoleacetic acid, ethyl ester is 16105-44-5.
What is the molecular formula of 2-Benzoxazoleacetic acid, ethyl ester?
The molecular formula of 2-Benzoxazoleacetic acid, ethyl ester is C11H11NO3.
What is the molecular weight of 2-Benzoxazoleacetic acid, ethyl ester?
The molecular weight of 2-Benzoxazoleacetic acid, ethyl ester is 205.07 g/mol.
Where can I buy 2-Benzoxazoleacetic acid, ethyl ester?
You can request a quote for 2-Benzoxazoleacetic acid, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzoxazoleacetic acid, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzoxazoleacetic acid, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.