A-(dichloroacetyl)phenylalaninamide
TL;DR: A-(dichloroacetyl)phenylalaninamide (CAS 1462-80-2) is a chemical compound with molecular formula C15H18Cl4N2O2 and molecular weight 398.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-2-[(2,2-dichloroacetyl)amino]-3-phenylpropanamide
Also Known As: n,n-bis(2-chloroethyl)-n, A-(dichloroacetyl)phenylalaninamide, n,n-bis(2-chloroethyl)-n, A-(dichloroacetyl)phenylalaninamide, N,N-bis(2-chloroethyl)-2-[(2,2-dichloroacetyl)amino]-3-pheny
| Molecular Formula | C15H18Cl4N2O2 |
|---|---|
| Molecular Weight | 398.01 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 398.01224 |
| Heavy Atoms | 23 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 1462-80-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C(=O)N(CCCl)CCCl)NC(=O)C(Cl)Cl |
| InChIKey | OVZZKGPJKBADNJ-UHFFFAOYSA-N |
Product Overview
A-(dichloroacetyl)phenylalaninamide (CAS 1462-80-2), with molecular formula C15H18Cl4N2O2 and molecular weight 398.01 g/mol. IUPAC: N,N-bis(2-chloroethyl)-2-[(2,2-dichloroacetyl)amino]-3-phenylpropanamide.
Chemical Property Profile of A-(dichloroacetyl)phenylalaninamide
Property Insights of A-(dichloroacetyl)phenylalaninamide
The XLogP value of 3.6 indicates that A-(dichloroacetyl)phenylalaninamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.4 Ų, A-(dichloroacetyl)phenylalaninamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A-(dichloroacetyl)phenylalaninamide 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 A-(dichloroacetyl)phenylalaninamide?
The CAS number of A-(dichloroacetyl)phenylalaninamide is 1462-80-2.
What is the molecular formula of A-(dichloroacetyl)phenylalaninamide?
The molecular formula of A-(dichloroacetyl)phenylalaninamide is C15H18Cl4N2O2.
What is the molecular weight of A-(dichloroacetyl)phenylalaninamide?
The molecular weight of A-(dichloroacetyl)phenylalaninamide is 398.01 g/mol.
Where can I buy A-(dichloroacetyl)phenylalaninamide?
You can request a quote for A-(dichloroacetyl)phenylalaninamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A-(dichloroacetyl)phenylalaninamide?
Yes, KEHONG BIO provides custom synthesis services for A-(dichloroacetyl)phenylalaninamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.