n,n-Bis(2-chloroethyl)-3-methoxyaniline
TL;DR: n,n-Bis(2-chloroethyl)-3-methoxyaniline (CAS 75981-47-4) is a chemical compound with molecular formula C11H15Cl2NO and molecular weight 247.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-3-methoxyaniline
Also Known As: n,n-bis(2-chloroethyl)-3-methoxyaniline, Benzenamine, N,N-bis(2-chloroethyl)-3-methoxy-, N,N-BIS(2-CHLOROETHYL)-3-METHOXY-ANILINE
| Molecular Formula | C11H15Cl2NO |
|---|---|
| Molecular Weight | 247.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 247.05307 |
| Heavy Atoms | 15 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 75981-47-4 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N(CCCl)CCCl |
| InChIKey | YEUHPMAALSITIH-UHFFFAOYSA-N |
Product Overview
n,n-Bis(2-chloroethyl)-3-methoxyaniline (CAS 75981-47-4), with molecular formula C11H15Cl2NO and molecular weight 247.05 g/mol. IUPAC: N,N-bis(2-chloroethyl)-3-methoxyaniline.
Chemical Property Profile of n,n-Bis(2-chloroethyl)-3-methoxyaniline
Property Insights of n,n-Bis(2-chloroethyl)-3-methoxyaniline
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n,n-Bis(2-chloroethyl)-3-methoxyaniline. With a topological polar surface area (TPSA) of 12.5 Ų, n,n-Bis(2-chloroethyl)-3-methoxyaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n,n-Bis(2-chloroethyl)-3-methoxyaniline 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 n,n-Bis(2-chloroethyl)-3-methoxyaniline?
The CAS number of n,n-Bis(2-chloroethyl)-3-methoxyaniline is 75981-47-4.
What is the molecular formula of n,n-Bis(2-chloroethyl)-3-methoxyaniline?
The molecular formula of n,n-Bis(2-chloroethyl)-3-methoxyaniline is C11H15Cl2NO.
What is the molecular weight of n,n-Bis(2-chloroethyl)-3-methoxyaniline?
The molecular weight of n,n-Bis(2-chloroethyl)-3-methoxyaniline is 247.05 g/mol.
Where can I buy n,n-Bis(2-chloroethyl)-3-methoxyaniline?
You can request a quote for n,n-Bis(2-chloroethyl)-3-methoxyaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n,n-Bis(2-chloroethyl)-3-methoxyaniline?
Yes, KEHONG BIO provides custom synthesis services for n,n-Bis(2-chloroethyl)-3-methoxyaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.