![N-Acetyl-4-[bis(2-chloroethyl)amino]phenylalanylmethionine ethyl ester structure](/static/products/3564/3564-99-6.webp)
N-Acetyl-4-[bis(2-chloroethyl)amino]phenylalanylmethionine ethyl ester
TL;DR: N-Acetyl-4-[bis(2-chloroethyl)amino]phenylalanylmethionine ethyl ester (CAS 3564-99-6) is a chemical compound with molecular formula C22H33Cl2N3O4S and molecular weight 505.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-4-methylsulfanylbutanoate
Also Known As: BAS 00380202, N-Acetyl-4-[bis(2-chloroethyl)amino]phenylalanylmethionine ethyl ester, Ethyl N-acetyl-4-[bis(2-chloroethyl)amino]phenylalanylmethioninate, ethyl 2-[[2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-4-methylsulfanylbutanoate
| Molecular Formula | C22H33Cl2N3O4S |
|---|---|
| Molecular Weight | 505.16 g/mol |
| LogP | 2.8188 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 505.1569 |
| Heavy Atoms | 32 |
| Complexity | 715.6324 |
Chemical Identifiers
| CAS Number | 3564-99-6 |
|---|---|
| SMILES | CCOC(=O)C(CCSC)NC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C |
Product Overview
N-Acetyl-4-[bis(2-chloroethyl)amino]phenylalanylmethionine ethyl ester (CAS 3564-99-6), with molecular formula C22H33Cl2N3O4S and molecular weight 505.16 g/mol. IUPAC: ethyl 2-[[2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-4-methylsulfanylbutanoate.
Chemical Property Profile of N-Acetyl-4-[bis(2-chloroethyl)amino]phenylalanylmethionine ethyl ester
Property Insights of N-Acetyl-4-[bis(2-chloroethyl)amino]phenylalanylmethionine ethyl ester
The XLogP value of 2.8188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Acetyl-4-[bis(2-chloroethyl)amino]phenylalanylmethionine ethyl ester. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Acetyl-4-[bis(2-chloroethyl)amino]phenylalanylmethionine ethyl ester. Following Lipinski's Rule of Five, N-Acetyl-4-[bis(2-chloroethyl)amino]phenylalanylmethionine ethyl ester has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Acetyl-4-[bis(2-chloroethyl)amino]phenylalanylmethionine ethyl ester?
The CAS number of N-Acetyl-4-[bis(2-chloroethyl)amino]phenylalanylmethionine ethyl ester is 3564-99-6.
What is the molecular formula of N-Acetyl-4-[bis(2-chloroethyl)amino]phenylalanylmethionine ethyl ester?
The molecular formula of N-Acetyl-4-[bis(2-chloroethyl)amino]phenylalanylmethionine ethyl ester is C22H33Cl2N3O4S.
What is the molecular weight of N-Acetyl-4-[bis(2-chloroethyl)amino]phenylalanylmethionine ethyl ester?
The molecular weight of N-Acetyl-4-[bis(2-chloroethyl)amino]phenylalanylmethionine ethyl ester is 505.16 g/mol.
Where can I buy N-Acetyl-4-[bis(2-chloroethyl)amino]phenylalanylmethionine ethyl ester?
You can request a quote for N-Acetyl-4-[bis(2-chloroethyl)amino]phenylalanylmethionine 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]phenylalanylmethionine ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-Acetyl-4-[bis(2-chloroethyl)amino]phenylalanylmethionine ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.