N-Acetyl-4-(bis(2-chloroethyl)amino)phenylalanyl-L-leucine ethyl ester
TL;DR: N-Acetyl-4-(bis(2-chloroethyl)amino)phenylalanyl-L-leucine ethyl ester (CAS 3577-89-7) is a chemical compound with molecular formula C23H35Cl2N3O4 and molecular weight 487.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S)-2-[[2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-4-methylpentanoate
Also Known As: Leucine sarcolysine, Asalex, Asaley, Asalei, N-Acetyl-DL-sarcolysyl-L-leucine ethyl ester
| Molecular Formula | C23H35Cl2N3O4 |
|---|---|
| Molecular Weight | 487.20 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 15 |
| Exact Mass | 487.20047 |
| Heavy Atoms | 32 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 3577-89-7 |
|---|---|
| SMILES | CCOC(=O)[C@H](CC(C)C)NC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C |
| InChIKey | GBPZYMBDOBODNK-LBAQZLPGSA-N |
Product Overview
N-Acetyl-4-(bis(2-chloroethyl)amino)phenylalanyl-L-leucine ethyl ester (CAS 3577-89-7), with molecular formula C23H35Cl2N3O4 and molecular weight 487.20 g/mol. IUPAC: ethyl (2S)-2-[[2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-4-methylpentanoate.
Chemical Property Profile of N-Acetyl-4-(bis(2-chloroethyl)amino)phenylalanyl-L-leucine ethyl ester
Property Insights of N-Acetyl-4-(bis(2-chloroethyl)amino)phenylalanyl-L-leucine ethyl ester
The XLogP value of 3.3 indicates that N-Acetyl-4-(bis(2-chloroethyl)amino)phenylalanyl-L-leucine ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Acetyl-4-(bis(2-chloroethyl)amino)phenylalanyl-L-leucine ethyl ester. Following Lipinski's Rule of Five, N-Acetyl-4-(bis(2-chloroethyl)amino)phenylalanyl-L-leucine ethyl ester has 2 hydrogen bond donor(s) and 5 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-Acetyl-4-(bis(2-chloroethyl)amino)phenylalanyl-L-leucine ethyl ester?
The CAS number of N-Acetyl-4-(bis(2-chloroethyl)amino)phenylalanyl-L-leucine ethyl ester is 3577-89-7.
What is the molecular formula of N-Acetyl-4-(bis(2-chloroethyl)amino)phenylalanyl-L-leucine ethyl ester?
The molecular formula of N-Acetyl-4-(bis(2-chloroethyl)amino)phenylalanyl-L-leucine ethyl ester is C23H35Cl2N3O4.
What is the molecular weight of N-Acetyl-4-(bis(2-chloroethyl)amino)phenylalanyl-L-leucine ethyl ester?
The molecular weight of N-Acetyl-4-(bis(2-chloroethyl)amino)phenylalanyl-L-leucine ethyl ester is 487.20 g/mol.
Where can I buy N-Acetyl-4-(bis(2-chloroethyl)amino)phenylalanyl-L-leucine ethyl ester?
You can request a quote for N-Acetyl-4-(bis(2-chloroethyl)amino)phenylalanyl-L-leucine ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Acetyl-4-(bis(2-chloroethyl)amino)phenylalanyl-L-leucine ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-Acetyl-4-(bis(2-chloroethyl)amino)phenylalanyl-L-leucine ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.