Chloromethylpseudocumene
TL;DR: Chloromethylpseudocumene (CAS 34643-29-3) is a chemical compound with molecular formula C10H13Cl and molecular weight 168.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-1,3,4-trimethylbenzene
Also Known As: Chloromethylpseudocumene, Monochloromethyl pseudocumene, starbld0002541, 2-(chloromethyl)-1,3,4-trimethylbenzene, Benzene, 2-(chloromethyl)-1,3,4-trimethyl-
| Molecular Formula | C10H13Cl |
|---|---|
| Molecular Weight | 168.07 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.07057 |
| Heavy Atoms | 11 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 34643-29-3 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C)CCl)C |
| InChIKey | HGFIBEDXILACRG-UHFFFAOYSA-N |
Product Overview
Chloromethylpseudocumene (CAS 34643-29-3), with molecular formula C10H13Cl and molecular weight 168.07 g/mol. IUPAC: 2-(chloromethyl)-1,3,4-trimethylbenzene.
Chemical Property Profile of Chloromethylpseudocumene
Property Insights of Chloromethylpseudocumene
The XLogP value of 4.0 indicates that Chloromethylpseudocumene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Chloromethylpseudocumene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloromethylpseudocumene 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 Chloromethylpseudocumene?
The CAS number of Chloromethylpseudocumene is 34643-29-3.
What is the molecular formula of Chloromethylpseudocumene?
The molecular formula of Chloromethylpseudocumene is C10H13Cl.
What is the molecular weight of Chloromethylpseudocumene?
The molecular weight of Chloromethylpseudocumene is 168.07 g/mol.
Where can I buy Chloromethylpseudocumene?
You can request a quote for Chloromethylpseudocumene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloromethylpseudocumene?
Yes, KEHONG BIO provides custom synthesis services for Chloromethylpseudocumene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.