1-Chloro-2,4-dimethoxybenzene
TL;DR: 1-Chloro-2,4-dimethoxybenzene (CAS 112897-97-9) is a chemical compound with molecular formula C8H9ClO2 and molecular weight 172.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2,4-dimethoxybenzene
Also Known As: 1-Chloro-2,4-dimethoxybenzene, 2,4-dimethoxychlorobenzene, 3-Methoxy-4-chloroanisole, 4-Ethyl-7-hydroxycoumarin, 2,4-dimethoxy chlorobenzene
| Molecular Formula | C8H9ClO2 |
|---|---|
| Molecular Weight | 172.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.02911 |
| Heavy Atoms | 11 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 112897-97-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)Cl)OC |
| InChIKey | OACCRGFGCIQFNR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-2,4-dimethoxybenzene (CAS 112897-97-9), with molecular formula C8H9ClO2 and molecular weight 172.03 g/mol. IUPAC: 1-chloro-2,4-dimethoxybenzene.
Chemical Property Profile of 1-Chloro-2,4-dimethoxybenzene
Property Insights of 1-Chloro-2,4-dimethoxybenzene
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-2,4-dimethoxybenzene. With a topological polar surface area (TPSA) of 18.5 Ų, 1-Chloro-2,4-dimethoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-2,4-dimethoxybenzene 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 1-Chloro-2,4-dimethoxybenzene?
The CAS number of 1-Chloro-2,4-dimethoxybenzene is 112897-97-9.
What is the molecular formula of 1-Chloro-2,4-dimethoxybenzene?
The molecular formula of 1-Chloro-2,4-dimethoxybenzene is C8H9ClO2.
What is the molecular weight of 1-Chloro-2,4-dimethoxybenzene?
The molecular weight of 1-Chloro-2,4-dimethoxybenzene is 172.03 g/mol.
Where can I buy 1-Chloro-2,4-dimethoxybenzene?
You can request a quote for 1-Chloro-2,4-dimethoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-2,4-dimethoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-2,4-dimethoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.