3,6-Bis(chloromethyl)durene
TL;DR: 3,6-Bis(chloromethyl)durene (CAS 3022-16-0) is a chemical compound with molecular formula C12H16Cl2 and molecular weight 230.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-bis(chloromethyl)-2,3,5,6-tetramethylbenzene
Also Known As: 3,6-Bis(chloromethyl)durene, Bis(chloromethyl)durene, 1,4-Bis(chloromethyl)-2,3,5,6-tetramethylbenzene, 1,4-Bis(chloromethyl)durene, 3,6-Bis-(chloromethyl)-durene
| Molecular Formula | C12H16Cl2 |
|---|---|
| Molecular Weight | 230.06 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.06291 |
| Heavy Atoms | 14 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 3022-16-0 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1CCl)C)C)CCl)C |
| InChIKey | PGFAKOSRZYDFLR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,6-Bis(chloromethyl)durene (CAS 3022-16-0), with molecular formula C12H16Cl2 and molecular weight 230.06 g/mol. IUPAC: 1,4-bis(chloromethyl)-2,3,5,6-tetramethylbenzene.
Chemical Property Profile of 3,6-Bis(chloromethyl)durene
Property Insights of 3,6-Bis(chloromethyl)durene
The XLogP value of 4.2 indicates that 3,6-Bis(chloromethyl)durene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,6-Bis(chloromethyl)durene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-Bis(chloromethyl)durene 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 3,6-Bis(chloromethyl)durene?
The CAS number of 3,6-Bis(chloromethyl)durene is 3022-16-0.
What is the molecular formula of 3,6-Bis(chloromethyl)durene?
The molecular formula of 3,6-Bis(chloromethyl)durene is C12H16Cl2.
What is the molecular weight of 3,6-Bis(chloromethyl)durene?
The molecular weight of 3,6-Bis(chloromethyl)durene is 230.06 g/mol.
Where can I buy 3,6-Bis(chloromethyl)durene?
You can request a quote for 3,6-Bis(chloromethyl)durene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Bis(chloromethyl)durene?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Bis(chloromethyl)durene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.