Pentane, 3-(chloromethyl)-
TL;DR: Pentane, 3-(chloromethyl)- (CAS 4737-41-1) 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.
3-(chloromethyl)pentane
Also Known As: 3-(Chloromethyl)pentane, Pentane, 3-(chloromethyl)-, 3-chloromethyl-pentane, 3-chloromethylpentane, 3- pentane
| 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 | 31.0 |
Chemical Identifiers
| CAS Number | 4737-41-1 |
|---|---|
| SMILES | CCC(CC)CCl |
| InChIKey | PQHNRODYYLFLRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentane, 3-(chloromethyl)- (CAS 4737-41-1), with molecular formula C6H13Cl and molecular weight 120.07 g/mol. IUPAC: 3-(chloromethyl)pentane.
Chemical Property Profile of Pentane, 3-(chloromethyl)-
Property Insights of Pentane, 3-(chloromethyl)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentane, 3-(chloromethyl)-. With a topological polar surface area (TPSA) of 0.0 Ų, Pentane, 3-(chloromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentane, 3-(chloromethyl)- 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 Pentane, 3-(chloromethyl)-?
The CAS number of Pentane, 3-(chloromethyl)- is 4737-41-1.
What is the molecular formula of Pentane, 3-(chloromethyl)-?
The molecular formula of Pentane, 3-(chloromethyl)- is C6H13Cl.
What is the molecular weight of Pentane, 3-(chloromethyl)-?
The molecular weight of Pentane, 3-(chloromethyl)- is 120.07 g/mol.
Where can I buy Pentane, 3-(chloromethyl)-?
You can request a quote for Pentane, 3-(chloromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentane, 3-(chloromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Pentane, 3-(chloromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.