3-chloro-N,N-bis(2-chloroethyl)aniline
TL;DR: 3-chloro-N,N-bis(2-chloroethyl)aniline (CAS 5520-28-5) is a chemical compound with molecular formula C10H12Cl3N and molecular weight 251.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N,N-bis(2-chloroethyl)aniline
Also Known As: 3-chloro-N,N-bis(2-chloroethyl)aniline, starbld0002181, 3-Chloro-N,N-bis(2-chloroethyl)benzenamine, Vortioxetine Impurity 83, Aniline, m-chloro-N,N-bis(2-chloroethyl)-
| Molecular Formula | C10H12Cl3N |
|---|---|
| Molecular Weight | 251.00 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.00352 |
| Heavy Atoms | 14 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 5520-28-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)N(CCCl)CCCl |
| InChIKey | UBLVFJOJWCMQKZ-UHFFFAOYSA-N |
Product Overview
3-chloro-N,N-bis(2-chloroethyl)aniline (CAS 5520-28-5), with molecular formula C10H12Cl3N and molecular weight 251.00 g/mol. IUPAC: 3-chloro-N,N-bis(2-chloroethyl)aniline.
Chemical Property Profile of 3-chloro-N,N-bis(2-chloroethyl)aniline
Property Insights of 3-chloro-N,N-bis(2-chloroethyl)aniline
The XLogP value of 3.5 indicates that 3-chloro-N,N-bis(2-chloroethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, 3-chloro-N,N-bis(2-chloroethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-N,N-bis(2-chloroethyl)aniline has 0 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-chloro-N,N-bis(2-chloroethyl)aniline?
The CAS number of 3-chloro-N,N-bis(2-chloroethyl)aniline is 5520-28-5.
What is the molecular formula of 3-chloro-N,N-bis(2-chloroethyl)aniline?
The molecular formula of 3-chloro-N,N-bis(2-chloroethyl)aniline is C10H12Cl3N.
What is the molecular weight of 3-chloro-N,N-bis(2-chloroethyl)aniline?
The molecular weight of 3-chloro-N,N-bis(2-chloroethyl)aniline is 251.00 g/mol.
Where can I buy 3-chloro-N,N-bis(2-chloroethyl)aniline?
You can request a quote for 3-chloro-N,N-bis(2-chloroethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N,N-bis(2-chloroethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N,N-bis(2-chloroethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.