![4-[1-(4-Chlorophenyl)tetrazol-5-yl]sulfanylbut-2-ynyl 3-chlorobenzoate structure](/static/products/541/5415-47-4.png)
4-[1-(4-Chlorophenyl)tetrazol-5-yl]sulfanylbut-2-ynyl 3-chlorobenzoate
TL;DR: 4-[1-(4-Chlorophenyl)tetrazol-5-yl]sulfanylbut-2-ynyl 3-chlorobenzoate (CAS 5415-47-4) is a chemical compound with molecular formula C18H12Cl2N4O2S and molecular weight 418.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylbut-2-ynyl 3-chlorobenzoate
Also Known As: 4-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylbut-2-ynyl 3-chlorobenzoate
| Molecular Formula | C18H12Cl2N4O2S |
|---|---|
| Molecular Weight | 418.01 g/mol |
| LogP | 3.9216 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.0058 |
| Heavy Atoms | 27 |
| Complexity | 996.3414 |
Chemical Identifiers
| CAS Number | 5415-47-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C(=O)OCC#CCSC2=NN=NN2C3=CC=C(C=C3)Cl |
Product Overview
4-[1-(4-Chlorophenyl)tetrazol-5-yl]sulfanylbut-2-ynyl 3-chlorobenzoate (CAS 5415-47-4), with molecular formula C18H12Cl2N4O2S and molecular weight 418.01 g/mol. IUPAC: 4-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylbut-2-ynyl 3-chlorobenzoate.
Chemical Property Profile of 4-[1-(4-Chlorophenyl)tetrazol-5-yl]sulfanylbut-2-ynyl 3-chlorobenzoate
Property Insights of 4-[1-(4-Chlorophenyl)tetrazol-5-yl]sulfanylbut-2-ynyl 3-chlorobenzoate
The XLogP value of 3.9216 indicates that 4-[1-(4-Chlorophenyl)tetrazol-5-yl]sulfanylbut-2-ynyl 3-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[1-(4-Chlorophenyl)tetrazol-5-yl]sulfanylbut-2-ynyl 3-chlorobenzoate. Following Lipinski's Rule of Five, 4-[1-(4-Chlorophenyl)tetrazol-5-yl]sulfanylbut-2-ynyl 3-chlorobenzoate has 0 hydrogen bond donor(s) and 6 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 4-[1-(4-Chlorophenyl)tetrazol-5-yl]sulfanylbut-2-ynyl 3-chlorobenzoate?
The CAS number of 4-[1-(4-Chlorophenyl)tetrazol-5-yl]sulfanylbut-2-ynyl 3-chlorobenzoate is 5415-47-4.
What is the molecular formula of 4-[1-(4-Chlorophenyl)tetrazol-5-yl]sulfanylbut-2-ynyl 3-chlorobenzoate?
The molecular formula of 4-[1-(4-Chlorophenyl)tetrazol-5-yl]sulfanylbut-2-ynyl 3-chlorobenzoate is C18H12Cl2N4O2S.
What is the molecular weight of 4-[1-(4-Chlorophenyl)tetrazol-5-yl]sulfanylbut-2-ynyl 3-chlorobenzoate?
The molecular weight of 4-[1-(4-Chlorophenyl)tetrazol-5-yl]sulfanylbut-2-ynyl 3-chlorobenzoate is 418.01 g/mol.
Where can I buy 4-[1-(4-Chlorophenyl)tetrazol-5-yl]sulfanylbut-2-ynyl 3-chlorobenzoate?
You can request a quote for 4-[1-(4-Chlorophenyl)tetrazol-5-yl]sulfanylbut-2-ynyl 3-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[1-(4-Chlorophenyl)tetrazol-5-yl]sulfanylbut-2-ynyl 3-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-[1-(4-Chlorophenyl)tetrazol-5-yl]sulfanylbut-2-ynyl 3-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.