3-Chloroheptane
TL;DR: 3-Chloroheptane (CAS 999-52-0) 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.
3-chloroheptane
Also Known As: 3-Chloroheptane, Heptane, 3-chloro-, 213-661-7, RefChem:1067628, EINECS 213-661-7
| Molecular Formula | C7H15Cl |
|---|---|
| Molecular Weight | 134.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 134.08623 |
| Heavy Atoms | 8 |
| Complexity | 43.0 |
Chemical Identifiers
| CAS Number | 999-52-0 |
|---|---|
| SMILES | CCCCC(CC)Cl |
| InChIKey | DMKNOEJJJSHSML-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloroheptane (CAS 999-52-0), with molecular formula C7H15Cl and molecular weight 134.09 g/mol. IUPAC: 3-chloroheptane.
Chemical Property Profile of 3-Chloroheptane
Property Insights of 3-Chloroheptane
The XLogP value of 3.6 indicates that 3-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, 3-Chloroheptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-Chloroheptane?
The CAS number of 3-Chloroheptane is 999-52-0.
What is the molecular formula of 3-Chloroheptane?
The molecular formula of 3-Chloroheptane is C7H15Cl.
What is the molecular weight of 3-Chloroheptane?
The molecular weight of 3-Chloroheptane is 134.09 g/mol.
Where can I buy 3-Chloroheptane?
You can request a quote for 3-Chloroheptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloroheptane?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloroheptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.