3-(Chloromethyl)-1,4-dimethoxy-2,5-dimethylbenzene
TL;DR: 3-(Chloromethyl)-1,4-dimethoxy-2,5-dimethylbenzene (CAS 91244-98-3) is a chemical compound with molecular formula C11H15ClO2 and molecular weight 214.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(chloromethyl)-1,4-dimethoxy-2,5-dimethylbenzene
Also Known As: 3-(chloromethyl)-1,4-dimethoxy-2,5-dimethylbenzene, 1-chloromethyl-2,5-dimethoxy-3,6-dimethylbenzene
| Molecular Formula | C11H15ClO2 |
|---|---|
| Molecular Weight | 214.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.07605 |
| Heavy Atoms | 14 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 91244-98-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1OC)CCl)C)OC |
| InChIKey | KZYXGKLCMQXISZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Chloromethyl)-1,4-dimethoxy-2,5-dimethylbenzene (CAS 91244-98-3), with molecular formula C11H15ClO2 and molecular weight 214.08 g/mol. IUPAC: 3-(chloromethyl)-1,4-dimethoxy-2,5-dimethylbenzene.
Chemical Property Profile of 3-(Chloromethyl)-1,4-dimethoxy-2,5-dimethylbenzene
Property Insights of 3-(Chloromethyl)-1,4-dimethoxy-2,5-dimethylbenzene
The XLogP value of 3.0 indicates that 3-(Chloromethyl)-1,4-dimethoxy-2,5-dimethylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 3-(Chloromethyl)-1,4-dimethoxy-2,5-dimethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Chloromethyl)-1,4-dimethoxy-2,5-dimethylbenzene has 0 hydrogen bond donor(s) and 2 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-(Chloromethyl)-1,4-dimethoxy-2,5-dimethylbenzene?
The CAS number of 3-(Chloromethyl)-1,4-dimethoxy-2,5-dimethylbenzene is 91244-98-3.
What is the molecular formula of 3-(Chloromethyl)-1,4-dimethoxy-2,5-dimethylbenzene?
The molecular formula of 3-(Chloromethyl)-1,4-dimethoxy-2,5-dimethylbenzene is C11H15ClO2.
What is the molecular weight of 3-(Chloromethyl)-1,4-dimethoxy-2,5-dimethylbenzene?
The molecular weight of 3-(Chloromethyl)-1,4-dimethoxy-2,5-dimethylbenzene is 214.08 g/mol.
Where can I buy 3-(Chloromethyl)-1,4-dimethoxy-2,5-dimethylbenzene?
You can request a quote for 3-(Chloromethyl)-1,4-dimethoxy-2,5-dimethylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Chloromethyl)-1,4-dimethoxy-2,5-dimethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 3-(Chloromethyl)-1,4-dimethoxy-2,5-dimethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.