4-(Bis(2-chloroethyl)amino)-N-(hydroxymethylidene)phenylalanine
TL;DR: 4-(Bis(2-chloroethyl)amino)-N-(hydroxymethylidene)phenylalanine (CAS 26367-45-3) is a chemical compound with molecular formula C14H18Cl2N2O3 and molecular weight 332.07 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-formamidopropanoic acid
Also Known As: N-Formylmelphalan, N-Formyl-L-sarcolysin, N-Formylsarcolysine, NFormylmelphalan, L-Phenylalanine,
| Molecular Formula | C14H18Cl2N2O3 |
|---|---|
| Molecular Weight | 332.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 332.06946 |
| Heavy Atoms | 21 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 26367-45-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(C(=O)O)NC=O)N(CCCl)CCCl |
| InChIKey | ZPOLNCDBPYJDSE-UHFFFAOYSA-N |
Product Overview
4-(Bis(2-chloroethyl)amino)-N-(hydroxymethylidene)phenylalanine (CAS 26367-45-3), with molecular formula C14H18Cl2N2O3 and molecular weight 332.07 g/mol. IUPAC: 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-formamidopropanoic acid.
Chemical Property Profile of 4-(Bis(2-chloroethyl)amino)-N-(hydroxymethylidene)phenylalanine
Property Insights of 4-(Bis(2-chloroethyl)amino)-N-(hydroxymethylidene)phenylalanine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Bis(2-chloroethyl)amino)-N-(hydroxymethylidene)phenylalanine. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Bis(2-chloroethyl)amino)-N-(hydroxymethylidene)phenylalanine. Following Lipinski's Rule of Five, 4-(Bis(2-chloroethyl)amino)-N-(hydroxymethylidene)phenylalanine has 2 hydrogen bond donor(s) and 4 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-(Bis(2-chloroethyl)amino)-N-(hydroxymethylidene)phenylalanine?
The CAS number of 4-(Bis(2-chloroethyl)amino)-N-(hydroxymethylidene)phenylalanine is 26367-45-3.
What is the molecular formula of 4-(Bis(2-chloroethyl)amino)-N-(hydroxymethylidene)phenylalanine?
The molecular formula of 4-(Bis(2-chloroethyl)amino)-N-(hydroxymethylidene)phenylalanine is C14H18Cl2N2O3.
What is the molecular weight of 4-(Bis(2-chloroethyl)amino)-N-(hydroxymethylidene)phenylalanine?
The molecular weight of 4-(Bis(2-chloroethyl)amino)-N-(hydroxymethylidene)phenylalanine is 332.07 g/mol.
Where can I buy 4-(Bis(2-chloroethyl)amino)-N-(hydroxymethylidene)phenylalanine?
You can request a quote for 4-(Bis(2-chloroethyl)amino)-N-(hydroxymethylidene)phenylalanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Bis(2-chloroethyl)amino)-N-(hydroxymethylidene)phenylalanine?
Yes, KEHONG BIO provides custom synthesis services for 4-(Bis(2-chloroethyl)amino)-N-(hydroxymethylidene)phenylalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.