1,3-Dichloro-2-(chloromethyl)-2-methylpropane
TL;DR: 1,3-Dichloro-2-(chloromethyl)-2-methylpropane (CAS 3922-27-8) is a chemical compound with molecular formula CC(CCl)(CCl)CCl and molecular weight 173.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dichloro-2-(chloromethyl)-2-methylpropane
Also Known As: 1,1,1-Tris(chloromethyl)ethane, 1,3-Dichloro-2-(chloromethyl)-2-methylpropane, 1,1,1-trichloropentane, C(C)(CCl)(CCl)CCl, 111-Tris(chloromethyl)ethane
| Molecular Formula | CC(CCl)(CCl)CCl |
|---|---|
| Molecular Weight | 173.98 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 173.97699 |
| Heavy Atoms | 8 |
| Complexity | 50.0 |
Chemical Identifiers
| CAS Number | 3922-27-8 |
|---|---|
| SMILES | CC(CCl)(CCl)CCl |
| InChIKey | BYXOMFFBGDPXHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dichloro-2-(chloromethyl)-2-methylpropane (CAS 3922-27-8), with molecular formula CC(CCl)(CCl)CCl and molecular weight 173.98 g/mol. IUPAC: 1,3-dichloro-2-(chloromethyl)-2-methylpropane.
Chemical Property Profile of 1,3-Dichloro-2-(chloromethyl)-2-methylpropane
Property Insights of 1,3-Dichloro-2-(chloromethyl)-2-methylpropane
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dichloro-2-(chloromethyl)-2-methylpropane. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Dichloro-2-(chloromethyl)-2-methylpropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dichloro-2-(chloromethyl)-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-(chloromethyl)-2-methylpropane?
The CAS number of 1,3-Dichloro-2-(chloromethyl)-2-methylpropane is 3922-27-8.
What is the molecular formula of 1,3-Dichloro-2-(chloromethyl)-2-methylpropane?
The molecular formula of 1,3-Dichloro-2-(chloromethyl)-2-methylpropane is CC(CCl)(CCl)CCl.
What is the molecular weight of 1,3-Dichloro-2-(chloromethyl)-2-methylpropane?
The molecular weight of 1,3-Dichloro-2-(chloromethyl)-2-methylpropane is 173.98 g/mol.
Where can I buy 1,3-Dichloro-2-(chloromethyl)-2-methylpropane?
You can request a quote for 1,3-Dichloro-2-(chloromethyl)-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-(chloromethyl)-2-methylpropane?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dichloro-2-(chloromethyl)-2-methylpropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.