4-Chloro-2-fluoro-5-methoxyaniline
TL;DR: 4-Chloro-2-fluoro-5-methoxyaniline (CAS 91167-85-0) is a chemical compound with molecular formula C7H7ClFNO and molecular weight 175.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-fluoro-5-methoxyaniline
Also Known As: 4-Chloro-2-fluoro-5-methoxyaniline, 4-chloro-2-fluoro-5-methoxy-aniline, 2-Fluoro-4-chloro-5-methoxyaniline, Benzenamine, 4-chloro-2-fluoro-5-methoxy-, AS-813/43501791
| Molecular Formula | C7H7ClFNO |
|---|---|
| Molecular Weight | 175.02 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.02002 |
| Heavy Atoms | 11 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 91167-85-0 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)N)F)Cl |
| InChIKey | ZBUDAHCMQUETEO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-2-fluoro-5-methoxyaniline (CAS 91167-85-0), with molecular formula C7H7ClFNO and molecular weight 175.02 g/mol. IUPAC: 4-chloro-2-fluoro-5-methoxyaniline.
Chemical Property Profile of 4-Chloro-2-fluoro-5-methoxyaniline
Property Insights of 4-Chloro-2-fluoro-5-methoxyaniline
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-fluoro-5-methoxyaniline. With a topological polar surface area (TPSA) of 35.3 Ų, 4-Chloro-2-fluoro-5-methoxyaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-fluoro-5-methoxyaniline has 1 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 4-Chloro-2-fluoro-5-methoxyaniline?
The CAS number of 4-Chloro-2-fluoro-5-methoxyaniline is 91167-85-0.
What is the molecular formula of 4-Chloro-2-fluoro-5-methoxyaniline?
The molecular formula of 4-Chloro-2-fluoro-5-methoxyaniline is C7H7ClFNO.
What is the molecular weight of 4-Chloro-2-fluoro-5-methoxyaniline?
The molecular weight of 4-Chloro-2-fluoro-5-methoxyaniline is 175.02 g/mol.
Where can I buy 4-Chloro-2-fluoro-5-methoxyaniline?
You can request a quote for 4-Chloro-2-fluoro-5-methoxyaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-fluoro-5-methoxyaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-fluoro-5-methoxyaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.