![4-{4-[Bis(2-chloroethyl)amino]phenyl}-n-phenylbutanamide structure](/static/products/5398/5398-66-3.webp)
4-{4-[Bis(2-chloroethyl)amino]phenyl}-n-phenylbutanamide
TL;DR: 4-{4-[Bis(2-chloroethyl)amino]phenyl}-n-phenylbutanamide (CAS 5398-66-3) is a chemical compound with molecular formula C20H24Cl2N2O and molecular weight 378.13 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-phenylbutanamide
Also Known As: 4-{4-[bis(2-chloroethyl)amino]phenyl}-n-phenylbutanamide, 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-phenylbutanamide, Benzenebutanamide, 4-[bis(2-chloroethyl)amino]-N-phenyl-
| Molecular Formula | C20H24Cl2N2O |
|---|---|
| Molecular Weight | 378.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 378.12656 |
| Heavy Atoms | 25 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 5398-66-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)CCCC2=CC=C(C=C2)N(CCCl)CCCl |
| InChIKey | KKPOEPDTULPKGP-UHFFFAOYSA-N |
Product Overview
4-{4-[Bis(2-chloroethyl)amino]phenyl}-n-phenylbutanamide (CAS 5398-66-3), with molecular formula C20H24Cl2N2O and molecular weight 378.13 g/mol. IUPAC: 4-[4-[bis(2-chloroethyl)amino]phenyl]-N-phenylbutanamide.
Chemical Property Profile of 4-{4-[Bis(2-chloroethyl)amino]phenyl}-n-phenylbutanamide
Property Insights of 4-{4-[Bis(2-chloroethyl)amino]phenyl}-n-phenylbutanamide
The XLogP value of 3.0 indicates that 4-{4-[Bis(2-chloroethyl)amino]phenyl}-n-phenylbutanamide 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-phenylbutanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{4-[Bis(2-chloroethyl)amino]phenyl}-n-phenylbutanamide 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-phenylbutanamide?
The CAS number of 4-{4-[Bis(2-chloroethyl)amino]phenyl}-n-phenylbutanamide is 5398-66-3.
What is the molecular formula of 4-{4-[Bis(2-chloroethyl)amino]phenyl}-n-phenylbutanamide?
The molecular formula of 4-{4-[Bis(2-chloroethyl)amino]phenyl}-n-phenylbutanamide is C20H24Cl2N2O.
What is the molecular weight of 4-{4-[Bis(2-chloroethyl)amino]phenyl}-n-phenylbutanamide?
The molecular weight of 4-{4-[Bis(2-chloroethyl)amino]phenyl}-n-phenylbutanamide is 378.13 g/mol.
Where can I buy 4-{4-[Bis(2-chloroethyl)amino]phenyl}-n-phenylbutanamide?
You can request a quote for 4-{4-[Bis(2-chloroethyl)amino]phenyl}-n-phenylbutanamide 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-phenylbutanamide?
Yes, KEHONG BIO provides custom synthesis services for 4-{4-[Bis(2-chloroethyl)amino]phenyl}-n-phenylbutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.