Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(2-hydroxy- 1,1-bis(hydroxymethyl)ethyl)-
TL;DR: Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(2-hydroxy- 1,1-bis(hydroxymethyl)ethyl)- (CAS 76727-01-0) is a chemical compound with molecular formula C18H25Cl2N3O4 and molecular weight 417.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[bis(2-chloroethyl)amino]phenyl]-2-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide
Also Known As: Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(2-hydroxy- 1,1-bis(hydroxymethyl)ethyl)-, Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)-, 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide, 3-{4-[Bis(2-chloroethyl)amino]phenyl}-2-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanimidic acid, RefChem:325077
| Molecular Formula | C18H25Cl2N3O4 |
|---|---|
| Molecular Weight | 417.12 g/mol |
| LogP | 0.48478 |
| Topological Polar Surface Area | 116.82 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 417.12222 |
| Heavy Atoms | 27 |
| Complexity | 603.76324 |
Chemical Identifiers
| CAS Number | 76727-01-0 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(C#N)C(=O)NC(CO)(CO)CO)N(CCCl)CCCl |
Product Overview
Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(2-hydroxy- 1,1-bis(hydroxymethyl)ethyl)- (CAS 76727-01-0), with molecular formula C18H25Cl2N3O4 and molecular weight 417.12 g/mol. IUPAC: 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide.
Chemical Property Profile of Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(2-hydroxy- 1,1-bis(hydroxymethyl)ethyl)-
Property Insights of Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(2-hydroxy- 1,1-bis(hydroxymethyl)ethyl)-
The XLogP value of 0.48478 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(2-hydroxy- 1,1-bis(hydroxymethyl)ethyl)-. The TPSA of 116.82 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(2-hydroxy- 1,1-bis(hydroxymethyl)ethyl)-. Following Lipinski's Rule of Five, Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(2-hydroxy- 1,1-bis(hydroxymethyl)ethyl)- has 4 hydrogen bond donor(s) and 6 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 Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(2-hydroxy- 1,1-bis(hydroxymethyl)ethyl)-?
The CAS number of Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(2-hydroxy- 1,1-bis(hydroxymethyl)ethyl)- is 76727-01-0.
What is the molecular formula of Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(2-hydroxy- 1,1-bis(hydroxymethyl)ethyl)-?
The molecular formula of Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(2-hydroxy- 1,1-bis(hydroxymethyl)ethyl)- is C18H25Cl2N3O4.
What is the molecular weight of Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(2-hydroxy- 1,1-bis(hydroxymethyl)ethyl)-?
The molecular weight of Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(2-hydroxy- 1,1-bis(hydroxymethyl)ethyl)- is 417.12 g/mol.
Where can I buy Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(2-hydroxy- 1,1-bis(hydroxymethyl)ethyl)-?
You can request a quote for Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(2-hydroxy- 1,1-bis(hydroxymethyl)ethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(2-hydroxy- 1,1-bis(hydroxymethyl)ethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(2-hydroxy- 1,1-bis(hydroxymethyl)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.