![[1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-chlorobutanoate structure](/static/products/3384/338419-29-7.webp)
[1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-chlorobutanoate
TL;DR: [1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-chlorobutanoate (CAS 338419-29-7) is a chemical compound with molecular formula C13H13Cl2N3O2 and molecular weight 313.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-chlorophenyl)triazol-4-yl]methyl 4-chlorobutanoate
Also Known As: [1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-chlorobutanoate|KS-00001WC8|[1-(4-chlorophenyl)triazol-4-yl]methyl 4-chlorobutanoate|[1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl4-chlorobutanoate|MLS000696238|MFCD00140952|SMR000333352
| Molecular Formula | C13H13Cl2N3O2 |
|---|---|
| Molecular Weight | 313.04 g/mol |
| LogP | 2.9829 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.03848 |
| Heavy Atoms | 20 |
| Complexity | 569.2502 |
Chemical Identifiers
| CAS Number | 338419-29-7 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C=C(N=N2)COC(=O)CCCCl)Cl |
Product Overview
[1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-chlorobutanoate (CAS 338419-29-7), with molecular formula C13H13Cl2N3O2 and molecular weight 313.04 g/mol. IUPAC: [1-(4-chlorophenyl)triazol-4-yl]methyl 4-chlorobutanoate.
Chemical Property Profile of [1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-chlorobutanoate
Property Insights of [1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-chlorobutanoate
The XLogP value of 2.9829 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-chlorobutanoate. With a topological polar surface area (TPSA) of 57.01 Ų, [1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-chlorobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-chlorobutanoate 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 [1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-chlorobutanoate?
The CAS number of [1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-chlorobutanoate is 338419-29-7.
What is the molecular formula of [1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-chlorobutanoate?
The molecular formula of [1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-chlorobutanoate is C13H13Cl2N3O2.
What is the molecular weight of [1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-chlorobutanoate?
The molecular weight of [1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-chlorobutanoate is 313.04 g/mol.
Where can I buy [1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-chlorobutanoate?
You can request a quote for [1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-chlorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-chlorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for [1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl 4-chlorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.