7-Chlorohept-1-yne
TL;DR: 7-Chlorohept-1-yne (CAS 18804-36-9) is a chemical compound with molecular formula C7H11Cl and molecular weight 130.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chlorohept-1-yne
Also Known As: 7-chlorohept-1-yne, 7-chloro-1-heptyne, 1-Heptyne, 7-chloro-, 1-chloro-6-heptyne, 1-Heptyne,7-chloro
| Molecular Formula | C7H11Cl |
|---|---|
| Molecular Weight | 130.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 130.05493 |
| Heavy Atoms | 8 |
| Complexity | 77.0 |
Chemical Identifiers
| CAS Number | 18804-36-9 |
|---|---|
| SMILES | C#CCCCCCCl |
| InChIKey | JHURUSBTPUNQSC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Chlorohept-1-yne (CAS 18804-36-9), with molecular formula C7H11Cl and molecular weight 130.05 g/mol. IUPAC: 7-chlorohept-1-yne.
Chemical Property Profile of 7-Chlorohept-1-yne
Property Insights of 7-Chlorohept-1-yne
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Chlorohept-1-yne. With a topological polar surface area (TPSA) of 0.0 Ų, 7-Chlorohept-1-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chlorohept-1-yne 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 7-Chlorohept-1-yne?
The CAS number of 7-Chlorohept-1-yne is 18804-36-9.
What is the molecular formula of 7-Chlorohept-1-yne?
The molecular formula of 7-Chlorohept-1-yne is C7H11Cl.
What is the molecular weight of 7-Chlorohept-1-yne?
The molecular weight of 7-Chlorohept-1-yne is 130.05 g/mol.
Where can I buy 7-Chlorohept-1-yne?
You can request a quote for 7-Chlorohept-1-yne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Chlorohept-1-yne?
Yes, KEHONG BIO provides custom synthesis services for 7-Chlorohept-1-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.