2-Chloro-5-methylaniline
TL;DR: 2-Chloro-5-methylaniline (CAS 95-81-8) is a chemical compound with molecular formula C7H8ClN and molecular weight 141.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-methylaniline
Also Known As: 2-Chloro-5-methylaniline, 6-Chloro-m-toluidine, Benzenamine, 2-chloro-5-methyl-, 3-AMINO-4-CHLOROTOLUENE, 6-chlor-m-toluidin
| Molecular Formula | C7H8ClN |
|---|---|
| Molecular Weight | 141.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 141.03453 |
| Heavy Atoms | 9 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 95-81-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)Cl)N |
| InChIKey | HPSCXFOQUFPEPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-5-methylaniline (CAS 95-81-8), with molecular formula C7H8ClN and molecular weight 141.03 g/mol. IUPAC: 2-chloro-5-methylaniline.
Chemical Property Profile of 2-Chloro-5-methylaniline
Property Insights of 2-Chloro-5-methylaniline
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-5-methylaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 2-Chloro-5-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-5-methylaniline has 1 hydrogen bond donor(s) and 1 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 2-Chloro-5-methylaniline?
The CAS number of 2-Chloro-5-methylaniline is 95-81-8.
What is the molecular formula of 2-Chloro-5-methylaniline?
The molecular formula of 2-Chloro-5-methylaniline is C7H8ClN.
What is the molecular weight of 2-Chloro-5-methylaniline?
The molecular weight of 2-Chloro-5-methylaniline is 141.03 g/mol.
Where can I buy 2-Chloro-5-methylaniline?
You can request a quote for 2-Chloro-5-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-5-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-5-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.