Methyl 4-(benzoxazol-2-yl)benzoate
TL;DR: Methyl 4-(benzoxazol-2-yl)benzoate (CAS 20000-53-7) is a chemical compound with molecular formula C15H11NO3 and molecular weight 253.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(1,3-benzoxazol-2-yl)benzoate
Also Known As: methyl 4-(1,3-benzoxazol-2-yl)benzoate, TimTec1_006734, methyl 4-(benzo[d]oxazol-2-yl)benzoate, Methyl 4-(benzoxazol-2-yl)benzoate, 2-(4-carbomethoxyphenyl)-benzoxazole
| Molecular Formula | C15H11NO3 |
|---|---|
| Molecular Weight | 253.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.0739 |
| Heavy Atoms | 19 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 20000-53-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2=NC3=CC=CC=C3O2 |
| InChIKey | KDKBWBVNDADEON-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-(benzoxazol-2-yl)benzoate (CAS 20000-53-7), with molecular formula C15H11NO3 and molecular weight 253.07 g/mol. IUPAC: methyl 4-(1,3-benzoxazol-2-yl)benzoate.
Chemical Property Profile of Methyl 4-(benzoxazol-2-yl)benzoate
Property Insights of Methyl 4-(benzoxazol-2-yl)benzoate
The XLogP value of 3.3 indicates that Methyl 4-(benzoxazol-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, Methyl 4-(benzoxazol-2-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(benzoxazol-2-yl)benzoate 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 Methyl 4-(benzoxazol-2-yl)benzoate?
The CAS number of Methyl 4-(benzoxazol-2-yl)benzoate is 20000-53-7.
What is the molecular formula of Methyl 4-(benzoxazol-2-yl)benzoate?
The molecular formula of Methyl 4-(benzoxazol-2-yl)benzoate is C15H11NO3.
What is the molecular weight of Methyl 4-(benzoxazol-2-yl)benzoate?
The molecular weight of Methyl 4-(benzoxazol-2-yl)benzoate is 253.07 g/mol.
Where can I buy Methyl 4-(benzoxazol-2-yl)benzoate?
You can request a quote for Methyl 4-(benzoxazol-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(benzoxazol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(benzoxazol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.