2-(2-苯基-1,3-苯并恶唑-5-基)丙酸
TL;DR: 2-(2-苯基-1,3-苯并恶唑-5-基)丙酸 (CAS 51234-26-5) is a chemical compound with molecular formula C16H13NO3 and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-苯基-1,3-苯并恶唑-5-基)丙酸
2-(2-phenyl-1,3-benzoxazol-5-yl)propanoic acid
Also Known As: 2-Phenyl-alpha-methyl-5-benzoxazoleacetic acid, 2-(2-phenyl-1,3-benzoxazol-5-yl)propanoic acid, 5-BENZOXAZOLEACETIC ACID, alpha-METHYL-2-PHENYL-, alpha-Methyl-2-phenyl-5-benzoxazoleacetic acid, 5-Benzoxazoleacetic acid, .alpha.-methyl-2-phenyl-
| Molecular Formula | C16H13NO3 |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.08954 |
| Heavy Atoms | 20 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 51234-26-5 |
|---|---|
| SMILES | CC(C1=CC2=C(C=C1)OC(=N2)C3=CC=CC=C3)C(=O)O |
| InChIKey | KIUPORFCHKEHRJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-苯基-1,3-苯并恶唑-5-基)丙酸 (CAS 51234-26-5), with molecular formula C16H13NO3 and molecular weight 267.09 g/mol. IUPAC: 2-(2-phenyl-1,3-benzoxazol-5-yl)propanoic acid.
Chemical Property Profile of 2-(2-苯基-1,3-苯并恶唑-5-基)丙酸
Property Insights of 2-(2-苯基-1,3-苯并恶唑-5-基)丙酸
The XLogP value of 3.5 indicates that 2-(2-苯基-1,3-苯并恶唑-5-基)丙酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-苯基-1,3-苯并恶唑-5-基)丙酸. Following Lipinski's Rule of Five, 2-(2-苯基-1,3-苯并恶唑-5-基)丙酸 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
Frequently Asked Questions
What is the CAS number of 2-(2-苯基-1,3-苯并恶唑-5-基)丙酸?
The CAS number of 2-(2-苯基-1,3-苯并恶唑-5-基)丙酸 is 51234-26-5.
What is the molecular formula of 2-(2-苯基-1,3-苯并恶唑-5-基)丙酸?
The molecular formula of 2-(2-苯基-1,3-苯并恶唑-5-基)丙酸 is C16H13NO3.
What is the molecular weight of 2-(2-苯基-1,3-苯并恶唑-5-基)丙酸?
The molecular weight of 2-(2-苯基-1,3-苯并恶唑-5-基)丙酸 is 267.09 g/mol.
Where can I buy 2-(2-苯基-1,3-苯并恶唑-5-基)丙酸?
You can request a quote for 2-(2-苯基-1,3-苯并恶唑-5-基)丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-苯基-1,3-苯并恶唑-5-基)丙酸?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-苯基-1,3-苯并恶唑-5-基)丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.