(1,3-Benzoxazol-2-yl)acetic acid
TL;DR: (1,3-Benzoxazol-2-yl)acetic acid (CAS 78756-98-6) is a chemical compound with molecular formula C9H7NO3 and molecular weight 177.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzoxazol-2-yl)acetic acid
Also Known As: 2-(benzo[d]oxazol-2-yl)acetic acid, Benzooxazol-2-yl-acetic acid, 2-(1,3-benzoxazol-2-yl)acetic acid, 2-Benzoxazoleaceticacid, (1,3-Benzoxazol-2-yl)acetic acid
| Molecular Formula | C9H7NO3 |
|---|---|
| Molecular Weight | 177.04 g/mol |
| LogP | 1.4549 |
| Topological Polar Surface Area | 63.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.04259 |
| Heavy Atoms | 13 |
| Complexity | 413.81146 |
Chemical Identifiers
| CAS Number | 78756-98-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)CC(=O)O |
Product Overview
(1,3-Benzoxazol-2-yl)acetic acid (CAS 78756-98-6), with molecular formula C9H7NO3 and molecular weight 177.04 g/mol. IUPAC: 2-(1,3-benzoxazol-2-yl)acetic acid.
Chemical Property Profile of (1,3-Benzoxazol-2-yl)acetic acid
Property Insights of (1,3-Benzoxazol-2-yl)acetic acid
The XLogP value of 1.4549 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,3-Benzoxazol-2-yl)acetic acid. The TPSA of 63.33 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,3-Benzoxazol-2-yl)acetic acid. Following Lipinski's Rule of Five, (1,3-Benzoxazol-2-yl)acetic 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 (1,3-Benzoxazol-2-yl)acetic acid?
The CAS number of (1,3-Benzoxazol-2-yl)acetic acid is 78756-98-6.
What is the molecular formula of (1,3-Benzoxazol-2-yl)acetic acid?
The molecular formula of (1,3-Benzoxazol-2-yl)acetic acid is C9H7NO3.
What is the molecular weight of (1,3-Benzoxazol-2-yl)acetic acid?
The molecular weight of (1,3-Benzoxazol-2-yl)acetic acid is 177.04 g/mol.
Where can I buy (1,3-Benzoxazol-2-yl)acetic acid?
You can request a quote for (1,3-Benzoxazol-2-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 (1,3-Benzoxazol-2-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (1,3-Benzoxazol-2-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.