![4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-bromophenyl)butanamide structure](/static/products/5398/5398-69-6.webp)
4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-bromophenyl)butanamide
TL;DR: 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-bromophenyl)butanamide (CAS 5398-69-6) is a chemical compound with molecular formula C20H23BrCl2N2O and molecular weight 456.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-bromophenyl)butanamide
Also Known As: 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-bromophenyl)butanamide, 4-{4-[bis(2-chloroethyl)amino]phenyl}-n-(4-bromophenyl)butanamide, 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-bromophenyl)butan
| Molecular Formula | C20H23BrCl2N2O |
|---|---|
| Molecular Weight | 456.04 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 456.03708 |
| Heavy Atoms | 26 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 5398-69-6 |
|---|---|
| SMILES | C1=CC(=CC=C1CCCC(=O)NC2=CC=C(C=C2)Br)N(CCCl)CCCl |
| InChIKey | BKAABHXMEXDARY-UHFFFAOYSA-N |
Product Overview
4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-bromophenyl)butanamide (CAS 5398-69-6), with molecular formula C20H23BrCl2N2O and molecular weight 456.04 g/mol. IUPAC: 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-bromophenyl)butanamide.
Chemical Property Profile of 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-bromophenyl)butanamide
Property Insights of 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-bromophenyl)butanamide
The XLogP value of 3.7 indicates that 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-bromophenyl)butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-bromophenyl)butanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-bromophenyl)butanamide has 1 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 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-bromophenyl)butanamide?
The CAS number of 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-bromophenyl)butanamide is 5398-69-6.
What is the molecular formula of 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-bromophenyl)butanamide?
The molecular formula of 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-bromophenyl)butanamide is C20H23BrCl2N2O.
What is the molecular weight of 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-bromophenyl)butanamide?
The molecular weight of 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-bromophenyl)butanamide is 456.04 g/mol.
Where can I buy 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-bromophenyl)butanamide?
You can request a quote for 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-bromophenyl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-bromophenyl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-bromophenyl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.