1-Chloro-4-methylpentane
TL;DR: 1-Chloro-4-methylpentane (CAS 62016-94-8) is a chemical compound with molecular formula C6H13Cl and molecular weight 120.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-methylpentane
Also Known As: 1-Chloro-4-methylpentane, Pentane, 1-chloro-4-methyl, 1-chloro-4-methyl-pentane, Pentane, 1-chloro-4-methyl-, Pentane,1-chloro-4-methyl
| Molecular Formula | C6H13Cl |
|---|---|
| Molecular Weight | 120.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 120.07058 |
| Heavy Atoms | 7 |
| Complexity | 33.0 |
Chemical Identifiers
| CAS Number | 62016-94-8 |
|---|---|
| SMILES | CC(C)CCCCl |
| InChIKey | QUKRJOOWAUJXJN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-4-methylpentane (CAS 62016-94-8), with molecular formula C6H13Cl and molecular weight 120.07 g/mol. IUPAC: 1-chloro-4-methylpentane.
Chemical Property Profile of 1-Chloro-4-methylpentane
Property Insights of 1-Chloro-4-methylpentane
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-4-methylpentane. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Chloro-4-methylpentane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-methylpentane 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-Chloro-4-methylpentane?
The CAS number of 1-Chloro-4-methylpentane is 62016-94-8.
What is the molecular formula of 1-Chloro-4-methylpentane?
The molecular formula of 1-Chloro-4-methylpentane is C6H13Cl.
What is the molecular weight of 1-Chloro-4-methylpentane?
The molecular weight of 1-Chloro-4-methylpentane is 120.07 g/mol.
Where can I buy 1-Chloro-4-methylpentane?
You can request a quote for 1-Chloro-4-methylpentane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-4-methylpentane?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-4-methylpentane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.