1,3-Dichloro-2-methylpropane
TL;DR: 1,3-Dichloro-2-methylpropane (CAS 616-19-3) is a chemical compound with molecular formula C4H8Cl2 and molecular weight 126.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dichloro-2-methylpropane
Also Known As: 1,3-Dichloro-2-methylpropane, Propane, 1,3-dichloro-2-methyl-, 1,3-Dichloroisobutane, 1,3-dichloro-2-methyl-propane, 3-chloro-2-(chloro-methyl)-propane
| Molecular Formula | C4H8Cl2 |
|---|---|
| Molecular Weight | 126.00 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 126.000305 |
| Heavy Atoms | 6 |
| Complexity | 24.0 |
Chemical Identifiers
| CAS Number | 616-19-3 |
|---|---|
| SMILES | CC(CCl)CCl |
| InChIKey | VENSUTAUIFXSRD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dichloro-2-methylpropane (CAS 616-19-3), with molecular formula C4H8Cl2 and molecular weight 126.00 g/mol. IUPAC: 1,3-dichloro-2-methylpropane.
Chemical Property Profile of 1,3-Dichloro-2-methylpropane
Property Insights of 1,3-Dichloro-2-methylpropane
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dichloro-2-methylpropane. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Dichloro-2-methylpropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dichloro-2-methylpropane 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 1,3-Dichloro-2-methylpropane?
The CAS number of 1,3-Dichloro-2-methylpropane is 616-19-3.
What is the molecular formula of 1,3-Dichloro-2-methylpropane?
The molecular formula of 1,3-Dichloro-2-methylpropane is C4H8Cl2.
What is the molecular weight of 1,3-Dichloro-2-methylpropane?
The molecular weight of 1,3-Dichloro-2-methylpropane is 126.00 g/mol.
Where can I buy 1,3-Dichloro-2-methylpropane?
You can request a quote for 1,3-Dichloro-2-methylpropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dichloro-2-methylpropane?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dichloro-2-methylpropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.