N,N-bis(2-bromoethyl)-4-chloroaniline
TL;DR: N,N-bis(2-bromoethyl)-4-chloroaniline (CAS 64977-12-4) is a chemical compound with molecular formula C10H12Br2ClN and molecular weight 338.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-bromoethyl)-4-chloroaniline
Also Known As: N,N-bis(2-bromoethyl)-4-chloroaniline, N,n-bis(2-bromoethyl)-4-chloro-aniline
| Molecular Formula | C10H12Br2ClN |
|---|---|
| Molecular Weight | 338.90 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.9025 |
| Heavy Atoms | 14 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 64977-12-4 |
|---|---|
| SMILES | C1=CC(=CC=C1N(CCBr)CCBr)Cl |
| InChIKey | WBIZQZAVAKXXTG-UHFFFAOYSA-N |
Product Overview
N,N-bis(2-bromoethyl)-4-chloroaniline (CAS 64977-12-4), with molecular formula C10H12Br2ClN and molecular weight 338.90 g/mol. IUPAC: N,N-bis(2-bromoethyl)-4-chloroaniline.
Chemical Property Profile of N,N-bis(2-bromoethyl)-4-chloroaniline
Property Insights of N,N-bis(2-bromoethyl)-4-chloroaniline
The XLogP value of 4.2 indicates that N,N-bis(2-bromoethyl)-4-chloroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, N,N-bis(2-bromoethyl)-4-chloroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-bis(2-bromoethyl)-4-chloroaniline 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 N,N-bis(2-bromoethyl)-4-chloroaniline?
The CAS number of N,N-bis(2-bromoethyl)-4-chloroaniline is 64977-12-4.
What is the molecular formula of N,N-bis(2-bromoethyl)-4-chloroaniline?
The molecular formula of N,N-bis(2-bromoethyl)-4-chloroaniline is C10H12Br2ClN.
What is the molecular weight of N,N-bis(2-bromoethyl)-4-chloroaniline?
The molecular weight of N,N-bis(2-bromoethyl)-4-chloroaniline is 338.90 g/mol.
Where can I buy N,N-bis(2-bromoethyl)-4-chloroaniline?
You can request a quote for N,N-bis(2-bromoethyl)-4-chloroaniline 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-bromoethyl)-4-chloroaniline?
Yes, KEHONG BIO provides custom synthesis services for N,N-bis(2-bromoethyl)-4-chloroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.