1-(6-Chlorohex-1-en-3-yl)benzotriazole
TL;DR: 1-(6-Chlorohex-1-en-3-yl)benzotriazole (CAS 240416-53-9) is a chemical compound with molecular formula C12H14ClN3 and molecular weight 235.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-chlorohex-1-en-3-yl)benzotriazole
Also Known As: 1-(6-chlorohex-1-en-3-yl)benzotriazole, 1-[1-(3-chloropropyl)-2-propenyl]-1H-1,2,3-benzotriazole
| Molecular Formula | C12H14ClN3 |
|---|---|
| Molecular Weight | 235.09 g/mol |
| LogP | 3.1774 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 235.08763 |
| Heavy Atoms | 16 |
| Complexity | 477.82355 |
Chemical Identifiers
| CAS Number | 240416-53-9 |
|---|---|
| SMILES | C=CC(CCCCl)N1C2=CC=CC=C2N=N1 |
Product Overview
1-(6-Chlorohex-1-en-3-yl)benzotriazole (CAS 240416-53-9), with molecular formula C12H14ClN3 and molecular weight 235.09 g/mol. IUPAC: 1-(6-chlorohex-1-en-3-yl)benzotriazole.
Chemical Property Profile of 1-(6-Chlorohex-1-en-3-yl)benzotriazole
Property Insights of 1-(6-Chlorohex-1-en-3-yl)benzotriazole
The XLogP value of 3.1774 indicates that 1-(6-Chlorohex-1-en-3-yl)benzotriazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, 1-(6-Chlorohex-1-en-3-yl)benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(6-Chlorohex-1-en-3-yl)benzotriazole has 0 hydrogen bond donor(s) and 2 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-(6-Chlorohex-1-en-3-yl)benzotriazole?
The CAS number of 1-(6-Chlorohex-1-en-3-yl)benzotriazole is 240416-53-9.
What is the molecular formula of 1-(6-Chlorohex-1-en-3-yl)benzotriazole?
The molecular formula of 1-(6-Chlorohex-1-en-3-yl)benzotriazole is C12H14ClN3.
What is the molecular weight of 1-(6-Chlorohex-1-en-3-yl)benzotriazole?
The molecular weight of 1-(6-Chlorohex-1-en-3-yl)benzotriazole is 235.09 g/mol.
Where can I buy 1-(6-Chlorohex-1-en-3-yl)benzotriazole?
You can request a quote for 1-(6-Chlorohex-1-en-3-yl)benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(6-Chlorohex-1-en-3-yl)benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(6-Chlorohex-1-en-3-yl)benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.