3,4-Dichloro-N-methylaniline
TL;DR: 3,4-Dichloro-N-methylaniline (CAS 40750-59-2) is a chemical compound with molecular formula C7H7Cl2N and molecular weight 175.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dichloro-N-methylaniline
Also Known As: 3,4-Dichloro-N-methylaniline, 3-chloropyridine-2-thiol, N1-Methyl-3,4-dichloroaniline, n-methyl-3,4-dichloroaniline, 3,5-Dichloro-N-methylaniline
| Molecular Formula | C7H7Cl2N |
|---|---|
| Molecular Weight | 175.00 g/mol |
| LogP | 3.0351 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.99556 |
| Heavy Atoms | 10 |
| Complexity | 235.04776 |
Chemical Identifiers
| CAS Number | 40750-59-2 |
|---|---|
| SMILES | CNC1=CC(=C(C=C1)Cl)Cl |
Product Overview
3,4-Dichloro-N-methylaniline (CAS 40750-59-2), with molecular formula C7H7Cl2N and molecular weight 175.00 g/mol. IUPAC: 3,4-dichloro-N-methylaniline.
Chemical Property Profile of 3,4-Dichloro-N-methylaniline
Property Insights of 3,4-Dichloro-N-methylaniline
The XLogP value of 3.0351 indicates that 3,4-Dichloro-N-methylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, 3,4-Dichloro-N-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dichloro-N-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 3,4-Dichloro-N-methylaniline?
The CAS number of 3,4-Dichloro-N-methylaniline is 40750-59-2.
What is the molecular formula of 3,4-Dichloro-N-methylaniline?
The molecular formula of 3,4-Dichloro-N-methylaniline is C7H7Cl2N.
What is the molecular weight of 3,4-Dichloro-N-methylaniline?
The molecular weight of 3,4-Dichloro-N-methylaniline is 175.00 g/mol.
Where can I buy 3,4-Dichloro-N-methylaniline?
You can request a quote for 3,4-Dichloro-N-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dichloro-N-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dichloro-N-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.