5-Chloro-3-(3,4,5-trimethoxyphenyl)-2,1-benzoxazole
TL;DR: 5-Chloro-3-(3,4,5-trimethoxyphenyl)-2,1-benzoxazole (CAS 24979-16-6) is a chemical compound with molecular formula C16H14ClNO4 and molecular weight 319.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3-(3,4,5-trimethoxyphenyl)-2,1-benzoxazole
Also Known As: IFLab1_000457, IDI1_008676, 5-chloro-3-(3,4,5-trimethoxyphenyl)-2,1-benzoxazole, AB00093573-01, 5-chloro-3-(3,4,5-trimethoxyphenyl)benzo[c]isoxazole
| Molecular Formula | C16H14ClNO4 |
|---|---|
| Molecular Weight | 319.06 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 53.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.06113 |
| Heavy Atoms | 22 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 24979-16-6 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=C3C=C(C=CC3=NO2)Cl |
| InChIKey | YINKMJJZFLMKPA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chloro-3-(3,4,5-trimethoxyphenyl)-2,1-benzoxazole (CAS 24979-16-6), with molecular formula C16H14ClNO4 and molecular weight 319.06 g/mol. IUPAC: 5-chloro-3-(3,4,5-trimethoxyphenyl)-2,1-benzoxazole.
Chemical Property Profile of 5-Chloro-3-(3,4,5-trimethoxyphenyl)-2,1-benzoxazole
Property Insights of 5-Chloro-3-(3,4,5-trimethoxyphenyl)-2,1-benzoxazole
The XLogP value of 3.9 indicates that 5-Chloro-3-(3,4,5-trimethoxyphenyl)-2,1-benzoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.7 Ų, 5-Chloro-3-(3,4,5-trimethoxyphenyl)-2,1-benzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-3-(3,4,5-trimethoxyphenyl)-2,1-benzoxazole has 0 hydrogen bond donor(s) and 5 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 5-Chloro-3-(3,4,5-trimethoxyphenyl)-2,1-benzoxazole?
The CAS number of 5-Chloro-3-(3,4,5-trimethoxyphenyl)-2,1-benzoxazole is 24979-16-6.
What is the molecular formula of 5-Chloro-3-(3,4,5-trimethoxyphenyl)-2,1-benzoxazole?
The molecular formula of 5-Chloro-3-(3,4,5-trimethoxyphenyl)-2,1-benzoxazole is C16H14ClNO4.
What is the molecular weight of 5-Chloro-3-(3,4,5-trimethoxyphenyl)-2,1-benzoxazole?
The molecular weight of 5-Chloro-3-(3,4,5-trimethoxyphenyl)-2,1-benzoxazole is 319.06 g/mol.
Where can I buy 5-Chloro-3-(3,4,5-trimethoxyphenyl)-2,1-benzoxazole?
You can request a quote for 5-Chloro-3-(3,4,5-trimethoxyphenyl)-2,1-benzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-3-(3,4,5-trimethoxyphenyl)-2,1-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-3-(3,4,5-trimethoxyphenyl)-2,1-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.