![N-{4-[Bis(2-chloroethyl)amino]phenyl}-2-chloroacetamide structure](/static/products/6497/64977-03-3.webp)
N-{4-[Bis(2-chloroethyl)amino]phenyl}-2-chloroacetamide
TL;DR: N-{4-[Bis(2-chloroethyl)amino]phenyl}-2-chloroacetamide (CAS 64977-03-3) is a chemical compound with molecular formula C12H15Cl3N2O and molecular weight 308.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[bis(2-chloroethyl)amino]phenyl]-2-chloroacetamide
Also Known As: N-[4-[bis(2-chloroethyl)amino]phenyl]-2-chloroacetamide, N-{4-[BIS(2-CHLOROETHYL)AMINO]PHENYL}-2-CHLOROACETAMIDE, ACETAMIDE,N-[4-[BIS(2-CHLOROETHYL)AMINO]PHENYL]-2-CHLORO-, Acetamide, 2-chloro-N-[4-[bis(2-chloroethyl)amino]phenyl]-
| Molecular Formula | C12H15Cl3N2O |
|---|---|
| Molecular Weight | 308.02 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 308.025 |
| Heavy Atoms | 18 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 64977-03-3 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)CCl)N(CCCl)CCCl |
| InChIKey | ADSXPFDEODWMAJ-UHFFFAOYSA-N |
Product Overview
N-{4-[Bis(2-chloroethyl)amino]phenyl}-2-chloroacetamide (CAS 64977-03-3), with molecular formula C12H15Cl3N2O and molecular weight 308.02 g/mol. IUPAC: N-[4-[bis(2-chloroethyl)amino]phenyl]-2-chloroacetamide.
Chemical Property Profile of N-{4-[Bis(2-chloroethyl)amino]phenyl}-2-chloroacetamide
Property Insights of N-{4-[Bis(2-chloroethyl)amino]phenyl}-2-chloroacetamide
The XLogP value of 3.0 indicates that N-{4-[Bis(2-chloroethyl)amino]phenyl}-2-chloroacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, N-{4-[Bis(2-chloroethyl)amino]phenyl}-2-chloroacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-{4-[Bis(2-chloroethyl)amino]phenyl}-2-chloroacetamide 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 N-{4-[Bis(2-chloroethyl)amino]phenyl}-2-chloroacetamide?
The CAS number of N-{4-[Bis(2-chloroethyl)amino]phenyl}-2-chloroacetamide is 64977-03-3.
What is the molecular formula of N-{4-[Bis(2-chloroethyl)amino]phenyl}-2-chloroacetamide?
The molecular formula of N-{4-[Bis(2-chloroethyl)amino]phenyl}-2-chloroacetamide is C12H15Cl3N2O.
What is the molecular weight of N-{4-[Bis(2-chloroethyl)amino]phenyl}-2-chloroacetamide?
The molecular weight of N-{4-[Bis(2-chloroethyl)amino]phenyl}-2-chloroacetamide is 308.02 g/mol.
Where can I buy N-{4-[Bis(2-chloroethyl)amino]phenyl}-2-chloroacetamide?
You can request a quote for N-{4-[Bis(2-chloroethyl)amino]phenyl}-2-chloroacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{4-[Bis(2-chloroethyl)amino]phenyl}-2-chloroacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-{4-[Bis(2-chloroethyl)amino]phenyl}-2-chloroacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.