7-Chloro-3-heptyne
TL;DR: 7-Chloro-3-heptyne (CAS 51575-85-0) 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-3-yne
Also Known As: 7-Chloro-3-heptyne, 7-chlorohept-3-yne, 3-Heptyne, 7-chloro-, 3-Heptyne,7-chloro, 7-chloro-hept-3-yne
| Molecular Formula | C7H11Cl |
|---|---|
| Molecular Weight | 130.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 130.05493 |
| Heavy Atoms | 8 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 51575-85-0 |
|---|---|
| SMILES | CCC#CCCCCl |
| InChIKey | NFSWUGZOVBYRKR-UHFFFAOYSA-N |
Product Overview
7-Chloro-3-heptyne (CAS 51575-85-0), with molecular formula C7H11Cl and molecular weight 130.05 g/mol. IUPAC: 7-chlorohept-3-yne.
Chemical Property Profile of 7-Chloro-3-heptyne
Property Insights of 7-Chloro-3-heptyne
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Chloro-3-heptyne. With a topological polar surface area (TPSA) of 0.0 Ų, 7-Chloro-3-heptyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chloro-3-heptyne 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-Chloro-3-heptyne?
The CAS number of 7-Chloro-3-heptyne is 51575-85-0.
What is the molecular formula of 7-Chloro-3-heptyne?
The molecular formula of 7-Chloro-3-heptyne is C7H11Cl.
What is the molecular weight of 7-Chloro-3-heptyne?
The molecular weight of 7-Chloro-3-heptyne is 130.05 g/mol.
Where can I buy 7-Chloro-3-heptyne?
You can request a quote for 7-Chloro-3-heptyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Chloro-3-heptyne?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-3-heptyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.