N,N-Bis(2-chloroethyl)-3-(4-chlorophenyl)-2-propenamide
TL;DR: N,N-Bis(2-chloroethyl)-3-(4-chlorophenyl)-2-propenamide (CAS 64398-15-8) is a chemical compound with molecular formula C13H14Cl3NO and molecular weight 305.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N,N-bis(2-chloroethyl)-3-(4-chlorophenyl)prop-2-enamide
Also Known As: N,N-Bis(2-chloroethyl)-3-(4-chlorophenyl)-2-propenamide, 2-Propenamide, N,N-bis(2-chloroethyl)-3-(4-chlorophenyl)-, (E)-N,N-bis(2-chloroethyl)-3-(4-chlorophenyl)prop-2-enamide
| Molecular Formula | C13H14Cl3NO |
|---|---|
| Molecular Weight | 305.01 g/mol |
| LogP | 3.6594 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 305.0141 |
| Heavy Atoms | 18 |
| Complexity | 397.2023 |
Chemical Identifiers
| CAS Number | 64398-15-8 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/C(=O)N(CCCl)CCCl)Cl |
Product Overview
N,N-Bis(2-chloroethyl)-3-(4-chlorophenyl)-2-propenamide (CAS 64398-15-8), with molecular formula C13H14Cl3NO and molecular weight 305.01 g/mol. IUPAC: (E)-N,N-bis(2-chloroethyl)-3-(4-chlorophenyl)prop-2-enamide.
Chemical Property Profile of N,N-Bis(2-chloroethyl)-3-(4-chlorophenyl)-2-propenamide
Property Insights of N,N-Bis(2-chloroethyl)-3-(4-chlorophenyl)-2-propenamide
The XLogP value of 3.6594 indicates that N,N-Bis(2-chloroethyl)-3-(4-chlorophenyl)-2-propenamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, N,N-Bis(2-chloroethyl)-3-(4-chlorophenyl)-2-propenamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Bis(2-chloroethyl)-3-(4-chlorophenyl)-2-propenamide 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-chloroethyl)-3-(4-chlorophenyl)-2-propenamide?
The CAS number of N,N-Bis(2-chloroethyl)-3-(4-chlorophenyl)-2-propenamide is 64398-15-8.
What is the molecular formula of N,N-Bis(2-chloroethyl)-3-(4-chlorophenyl)-2-propenamide?
The molecular formula of N,N-Bis(2-chloroethyl)-3-(4-chlorophenyl)-2-propenamide is C13H14Cl3NO.
What is the molecular weight of N,N-Bis(2-chloroethyl)-3-(4-chlorophenyl)-2-propenamide?
The molecular weight of N,N-Bis(2-chloroethyl)-3-(4-chlorophenyl)-2-propenamide is 305.01 g/mol.
Where can I buy N,N-Bis(2-chloroethyl)-3-(4-chlorophenyl)-2-propenamide?
You can request a quote for N,N-Bis(2-chloroethyl)-3-(4-chlorophenyl)-2-propenamide 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-chloroethyl)-3-(4-chlorophenyl)-2-propenamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-Bis(2-chloroethyl)-3-(4-chlorophenyl)-2-propenamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.