Benzoxazole, 2-(4-chlorophenyl)-5-(1-(5-tetrazolyl)ethyl)-
TL;DR: Benzoxazole, 2-(4-chlorophenyl)-5-(1-(5-tetrazolyl)ethyl)- (CAS 54785-35-2) is a chemical compound with molecular formula C16H12ClN5O and molecular weight 325.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-5-[1-(2H-tetrazol-5-yl)ethyl]-1,3-benzoxazole
Also Known As: 2-(4-Chlorophenyl)-5-(1-(5-tetrazolyl)ethyl)benzoxazole, BENZOXAZOLE, 2-(4-CHLOROPHENYL)-5-(1-(5-TETRAZOLYL)ETHYL)-, 2-(4-chlorophenyl)-5-[1-(2H-tetrazol-5-yl)ethyl]-1,3-benzoxazole, Benzene,1,3,5-tribromo-2-[(3-bromo-2-propynyl)oxy], 2-(4-Chlorophenyl)-5-[1-(1H-tetrazol-5-yl)ethyl]benzoxazole
| Molecular Formula | C16H12ClN5O |
|---|---|
| Molecular Weight | 325.07 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 80.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.07303 |
| Heavy Atoms | 23 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 54785-35-2 |
|---|---|
| SMILES | CC(C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)Cl)C4=NNN=N4 |
| InChIKey | HWYDUXWJTPHYRD-UHFFFAOYSA-N |
Product Overview
Benzoxazole, 2-(4-chlorophenyl)-5-(1-(5-tetrazolyl)ethyl)- (CAS 54785-35-2), with molecular formula C16H12ClN5O and molecular weight 325.07 g/mol. IUPAC: 2-(4-chlorophenyl)-5-[1-(2H-tetrazol-5-yl)ethyl]-1,3-benzoxazole.
Chemical Property Profile of Benzoxazole, 2-(4-chlorophenyl)-5-(1-(5-tetrazolyl)ethyl)-
Property Insights of Benzoxazole, 2-(4-chlorophenyl)-5-(1-(5-tetrazolyl)ethyl)-
The XLogP value of 3.9 indicates that Benzoxazole, 2-(4-chlorophenyl)-5-(1-(5-tetrazolyl)ethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoxazole, 2-(4-chlorophenyl)-5-(1-(5-tetrazolyl)ethyl)-. Following Lipinski's Rule of Five, Benzoxazole, 2-(4-chlorophenyl)-5-(1-(5-tetrazolyl)ethyl)- has 1 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 Benzoxazole, 2-(4-chlorophenyl)-5-(1-(5-tetrazolyl)ethyl)-?
The CAS number of Benzoxazole, 2-(4-chlorophenyl)-5-(1-(5-tetrazolyl)ethyl)- is 54785-35-2.
What is the molecular formula of Benzoxazole, 2-(4-chlorophenyl)-5-(1-(5-tetrazolyl)ethyl)-?
The molecular formula of Benzoxazole, 2-(4-chlorophenyl)-5-(1-(5-tetrazolyl)ethyl)- is C16H12ClN5O.
What is the molecular weight of Benzoxazole, 2-(4-chlorophenyl)-5-(1-(5-tetrazolyl)ethyl)-?
The molecular weight of Benzoxazole, 2-(4-chlorophenyl)-5-(1-(5-tetrazolyl)ethyl)- is 325.07 g/mol.
Where can I buy Benzoxazole, 2-(4-chlorophenyl)-5-(1-(5-tetrazolyl)ethyl)-?
You can request a quote for Benzoxazole, 2-(4-chlorophenyl)-5-(1-(5-tetrazolyl)ethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoxazole, 2-(4-chlorophenyl)-5-(1-(5-tetrazolyl)ethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoxazole, 2-(4-chlorophenyl)-5-(1-(5-tetrazolyl)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.