1-(Chloromethyl)-2-fluoro-3,4-dimethoxybenzene
TL;DR: 1-(Chloromethyl)-2-fluoro-3,4-dimethoxybenzene (CAS 20662-47-9) is a chemical compound with molecular formula C9H10ClFO2 and molecular weight 204.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(chloromethyl)-2-fluoro-3,4-dimethoxybenzene
Also Known As: 1-(chloromethyl)-2-fluoro-3,4-dimethoxybenzene, 2-FLUORO-3,4-DIMETHOXYBENZYLCHLORIDE, KST-1B1573, 2-fluoro-3,4-dimethoxybenzyl chloride, Benzene,1-(chloromethyl)-2-fluoro-3,4-dimethoxy-
| Molecular Formula | C9H10ClFO2 |
|---|---|
| Molecular Weight | 204.04 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.03534 |
| Heavy Atoms | 13 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 20662-47-9 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)CCl)F)OC |
| InChIKey | RASIHJHGNLXRPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Chloromethyl)-2-fluoro-3,4-dimethoxybenzene (CAS 20662-47-9), with molecular formula C9H10ClFO2 and molecular weight 204.04 g/mol. IUPAC: 1-(chloromethyl)-2-fluoro-3,4-dimethoxybenzene.
Chemical Property Profile of 1-(Chloromethyl)-2-fluoro-3,4-dimethoxybenzene
Property Insights of 1-(Chloromethyl)-2-fluoro-3,4-dimethoxybenzene
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Chloromethyl)-2-fluoro-3,4-dimethoxybenzene. With a topological polar surface area (TPSA) of 18.5 Ų, 1-(Chloromethyl)-2-fluoro-3,4-dimethoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Chloromethyl)-2-fluoro-3,4-dimethoxybenzene has 0 hydrogen bond donor(s) and 3 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-(Chloromethyl)-2-fluoro-3,4-dimethoxybenzene?
The CAS number of 1-(Chloromethyl)-2-fluoro-3,4-dimethoxybenzene is 20662-47-9.
What is the molecular formula of 1-(Chloromethyl)-2-fluoro-3,4-dimethoxybenzene?
The molecular formula of 1-(Chloromethyl)-2-fluoro-3,4-dimethoxybenzene is C9H10ClFO2.
What is the molecular weight of 1-(Chloromethyl)-2-fluoro-3,4-dimethoxybenzene?
The molecular weight of 1-(Chloromethyl)-2-fluoro-3,4-dimethoxybenzene is 204.04 g/mol.
Where can I buy 1-(Chloromethyl)-2-fluoro-3,4-dimethoxybenzene?
You can request a quote for 1-(Chloromethyl)-2-fluoro-3,4-dimethoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Chloromethyl)-2-fluoro-3,4-dimethoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Chloromethyl)-2-fluoro-3,4-dimethoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.