1-Chlorohept-1-yne-5-ene
TL;DR: 1-Chlorohept-1-yne-5-ene (CAS 83682-36-4) is a chemical compound with molecular formula C7H9Cl and molecular weight 128.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-chlorohept-5-en-1-yne
Also Known As: 1-chlorohept-5-en-1-yne, 1-Chloro-1-heptyne-5-ene, 1-CHLOROHEPT-1-YNE-5-ENE, (E)-1-chlorohept-5-en-1-yne, J1.596.104J
| Molecular Formula | C7H9Cl |
|---|---|
| Molecular Weight | 128.04 g/mol |
| LogP | 2.5424 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 128.03928 |
| Heavy Atoms | 8 |
| Complexity | 114.083855 |
Chemical Identifiers
| CAS Number | 83682-36-4 |
|---|---|
| SMILES | C/C=C/CCC#CCl |
Product Overview
1-Chlorohept-1-yne-5-ene (CAS 83682-36-4), with molecular formula C7H9Cl and molecular weight 128.04 g/mol. IUPAC: (E)-1-chlorohept-5-en-1-yne.
Chemical Property Profile of 1-Chlorohept-1-yne-5-ene
Property Insights of 1-Chlorohept-1-yne-5-ene
The XLogP value of 2.5424 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chlorohept-1-yne-5-ene. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Chlorohept-1-yne-5-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chlorohept-1-yne-5-ene has 0 hydrogen bond donor(s) and 0 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-Chlorohept-1-yne-5-ene?
The CAS number of 1-Chlorohept-1-yne-5-ene is 83682-36-4.
What is the molecular formula of 1-Chlorohept-1-yne-5-ene?
The molecular formula of 1-Chlorohept-1-yne-5-ene is C7H9Cl.
What is the molecular weight of 1-Chlorohept-1-yne-5-ene?
The molecular weight of 1-Chlorohept-1-yne-5-ene is 128.04 g/mol.
Where can I buy 1-Chlorohept-1-yne-5-ene?
You can request a quote for 1-Chlorohept-1-yne-5-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chlorohept-1-yne-5-ene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chlorohept-1-yne-5-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.