![4-{4-[Bis(2-chloroethyl)amino]phenyl}-n-[4-(methylsulfanyl)phenyl]butanamide structure](/static/products/5376/53760-56-8.webp)
4-{4-[Bis(2-chloroethyl)amino]phenyl}-n-[4-(methylsulfanyl)phenyl]butanamide
TL;DR: 4-{4-[Bis(2-chloroethyl)amino]phenyl}-n-[4-(methylsulfanyl)phenyl]butanamide (CAS 53760-56-8) is a chemical compound with molecular formula C21H26Cl2N2OS and molecular weight 424.11 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-methylsulfanylphenyl)butanamide
Also Known As: 4-{4-[bis(2-chloroethyl)amino]phenyl}-n-[4-(methylsulfanyl)phenyl]butanamide, Benzenebutanamide, 4-[bis(2-chloroethyl)amino]-N- [4-(methyl, 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-methylsulfanylphenyl)butanamide, Benzenebutanamide, 4-[bis(2-chloroethyl)amino]-N- [4-(methylthio)phenyl]-
| Molecular Formula | C21H26Cl2N2OS |
|---|---|
| Molecular Weight | 424.11 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 424.1143 |
| Heavy Atoms | 27 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 53760-56-8 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)NC(=O)CCCC2=CC=C(C=C2)N(CCCl)CCCl |
| InChIKey | TUCDJGYBGHMPGR-UHFFFAOYSA-N |
Product Overview
4-{4-[Bis(2-chloroethyl)amino]phenyl}-n-[4-(methylsulfanyl)phenyl]butanamide (CAS 53760-56-8), with molecular formula C21H26Cl2N2OS and molecular weight 424.11 g/mol. IUPAC: 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-methylsulfanylphenyl)butanamide.
Chemical Property Profile of 4-{4-[Bis(2-chloroethyl)amino]phenyl}-n-[4-(methylsulfanyl)phenyl]butanamide
Property Insights of 4-{4-[Bis(2-chloroethyl)amino]phenyl}-n-[4-(methylsulfanyl)phenyl]butanamide
The XLogP value of 3.5 indicates that 4-{4-[Bis(2-chloroethyl)amino]phenyl}-n-[4-(methylsulfanyl)phenyl]butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.6 Ų, 4-{4-[Bis(2-chloroethyl)amino]phenyl}-n-[4-(methylsulfanyl)phenyl]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-(methylsulfanyl)phenyl]butanamide has 1 hydrogen bond donor(s) and 3 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-(methylsulfanyl)phenyl]butanamide?
The CAS number of 4-{4-[Bis(2-chloroethyl)amino]phenyl}-n-[4-(methylsulfanyl)phenyl]butanamide is 53760-56-8.
What is the molecular formula of 4-{4-[Bis(2-chloroethyl)amino]phenyl}-n-[4-(methylsulfanyl)phenyl]butanamide?
The molecular formula of 4-{4-[Bis(2-chloroethyl)amino]phenyl}-n-[4-(methylsulfanyl)phenyl]butanamide is C21H26Cl2N2OS.
What is the molecular weight of 4-{4-[Bis(2-chloroethyl)amino]phenyl}-n-[4-(methylsulfanyl)phenyl]butanamide?
The molecular weight of 4-{4-[Bis(2-chloroethyl)amino]phenyl}-n-[4-(methylsulfanyl)phenyl]butanamide is 424.11 g/mol.
Where can I buy 4-{4-[Bis(2-chloroethyl)amino]phenyl}-n-[4-(methylsulfanyl)phenyl]butanamide?
You can request a quote for 4-{4-[Bis(2-chloroethyl)amino]phenyl}-n-[4-(methylsulfanyl)phenyl]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-(methylsulfanyl)phenyl]butanamide?
Yes, KEHONG BIO provides custom synthesis services for 4-{4-[Bis(2-chloroethyl)amino]phenyl}-n-[4-(methylsulfanyl)phenyl]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.