1,3-Dichloro-2,2-bis(chloromethyl)propane
TL;DR: 1,3-Dichloro-2,2-bis(chloromethyl)propane (CAS 3228-99-7) is a chemical compound with molecular formula C5H8Cl4 and molecular weight 207.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dichloro-2,2-bis(chloromethyl)propane
Also Known As: Pentaerythrityl tetrachloride, 1,3-Dichloro-2,2-bis(chloromethyl)propane, Tetrachloride, Tetrakis(chloromethyl)methane, Pentaerythritol tetrachloride
| Molecular Formula | C5H8Cl4 |
|---|---|
| Molecular Weight | 207.94 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.93506 |
| Heavy Atoms | 9 |
| Complexity | 51.0 |
Chemical Identifiers
| CAS Number | 3228-99-7 |
|---|---|
| SMILES | C(C(CCl)(CCl)CCl)Cl |
| InChIKey | KPZGRMZPZLOPBS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dichloro-2,2-bis(chloromethyl)propane (CAS 3228-99-7), with molecular formula C5H8Cl4 and molecular weight 207.94 g/mol. IUPAC: 1,3-dichloro-2,2-bis(chloromethyl)propane.
Chemical Property Profile of 1,3-Dichloro-2,2-bis(chloromethyl)propane
Property Insights of 1,3-Dichloro-2,2-bis(chloromethyl)propane
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dichloro-2,2-bis(chloromethyl)propane. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Dichloro-2,2-bis(chloromethyl)propane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dichloro-2,2-bis(chloromethyl)propane 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-2,2-bis(chloromethyl)propane?
The CAS number of 1,3-Dichloro-2,2-bis(chloromethyl)propane is 3228-99-7.
What is the molecular formula of 1,3-Dichloro-2,2-bis(chloromethyl)propane?
The molecular formula of 1,3-Dichloro-2,2-bis(chloromethyl)propane is C5H8Cl4.
What is the molecular weight of 1,3-Dichloro-2,2-bis(chloromethyl)propane?
The molecular weight of 1,3-Dichloro-2,2-bis(chloromethyl)propane is 207.94 g/mol.
Where can I buy 1,3-Dichloro-2,2-bis(chloromethyl)propane?
You can request a quote for 1,3-Dichloro-2,2-bis(chloromethyl)propane 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-2,2-bis(chloromethyl)propane?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dichloro-2,2-bis(chloromethyl)propane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.