2-(1,3-Benzoxazol-5-yl)acetic acid
TL;DR: 2-(1,3-Benzoxazol-5-yl)acetic acid (CAS 153810-37-8) is a chemical compound with molecular formula C9H7NO3 and molecular weight 177.04259 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,3-benzoxazol-5-yl)acetic acid
Also Known As: 2-(1,3-benzoxazol-5-yl)acetic acid, 1,3-Benzoxazol-5-ylacetic acid, 2-(Benzo[d]oxazol-5-yl)acetic acid, (1,3-Benzoxazol-5-yl)acetic acid, 5-Benzoxazoleacetic acid
Technical Specifications
| Molecular Formula | C9H7NO3 |
| Molecular Weight | 177.04259 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 63.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.04259 Da |
| Heavy Atoms | 13 |
| Complexity | 207.0 |
| SMILES | C1=CC2=C(C=C1CC(=O)O)N=CO2 |
| InChIKey | MQSRDBFTKHVMKV-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1,3-Benzoxazol-5-yl)acetic acid
Property Insights of 2-(1,3-Benzoxazol-5-yl)acetic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Benzoxazol-5-yl)acetic acid. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzoxazol-5-yl)acetic acid. Following Lipinski's Rule of Five, 2-(1,3-Benzoxazol-5-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
What is the CAS number of 2-(1,3-Benzoxazol-5-yl)acetic acid?
The CAS number of 2-(1,3-Benzoxazol-5-yl)acetic acid is 153810-37-8.
What is the molecular formula of 2-(1,3-Benzoxazol-5-yl)acetic acid?
The molecular formula of 2-(1,3-Benzoxazol-5-yl)acetic acid is C9H7NO3.
What is the molecular weight of 2-(1,3-Benzoxazol-5-yl)acetic acid?
The molecular weight of 2-(1,3-Benzoxazol-5-yl)acetic acid is 177.04259 g/mol.
Where can I buy 2-(1,3-Benzoxazol-5-yl)acetic acid?
You can request a quote for 2-(1,3-Benzoxazol-5-yl)acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1,3-Benzoxazol-5-yl)acetic acid?
Yes, CoreyChem provides custom synthesis services for 2-(1,3-Benzoxazol-5-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.