1-Chloroheptane
TL;DR: 1-Chloroheptane (CAS 629-06-1) is a chemical compound with molecular formula C7H15Cl and molecular weight 134.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloroheptane
Also Known As: 1-CHLOROHEPTANE, Heptyl chloride, n-Heptyl chloride, Heptane, 1-chloro-, chloroheptane
| Molecular Formula | C7H15Cl |
|---|---|
| Molecular Weight | 134.09 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 134.08623 |
| Heavy Atoms | 8 |
| Complexity | 35.0 |
Chemical Identifiers
| CAS Number | 629-06-1 |
|---|---|
| SMILES | CCCCCCCCl |
| InChIKey | DZMDPHNGKBEVRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloroheptane (CAS 629-06-1), with molecular formula C7H15Cl and molecular weight 134.09 g/mol. IUPAC: 1-chloroheptane.
Chemical Property Profile of 1-Chloroheptane
Property Insights of 1-Chloroheptane
The XLogP value of 4.2 indicates that 1-Chloroheptane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Chloroheptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloroheptane 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-Chloroheptane?
The CAS number of 1-Chloroheptane is 629-06-1.
What is the molecular formula of 1-Chloroheptane?
The molecular formula of 1-Chloroheptane is C7H15Cl.
What is the molecular weight of 1-Chloroheptane?
The molecular weight of 1-Chloroheptane is 134.09 g/mol.
Where can I buy 1-Chloroheptane?
You can request a quote for 1-Chloroheptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloroheptane?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloroheptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.