![ethyl 2-[[2-acetamido-3-(4-nitrophenyl)propanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate structure](/static/products/1450/14504-87-1.webp)
ethyl 2-[[2-acetamido-3-(4-nitrophenyl)propanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate
TL;DR: ethyl 2-[[2-acetamido-3-(4-nitrophenyl)propanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate (CAS 14504-87-1) is a chemical compound with molecular formula C26H32Cl2N4O6 and molecular weight 566.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-acetamido-3-(4-nitrophenyl)propanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate
Also Known As: ethyl 2-[[2-acetamido-3-(4-nitrophenyl)propanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate, Ethyl N-acetyl-4-nitrophenylalanyl-4-[bis(2-chloroethyl)amino]phenylalaninate
| Molecular Formula | C26H32Cl2N4O6 |
|---|---|
| Molecular Weight | 566.17 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 15 |
| Exact Mass | 566.16986 |
| Heavy Atoms | 38 |
| Complexity | 761.0 |
Chemical Identifiers
| CAS Number | 14504-87-1 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C(CC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C |
| InChIKey | ATGVXCNZDUAFQZ-UHFFFAOYSA-N |
Product Overview
ethyl 2-[[2-acetamido-3-(4-nitrophenyl)propanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate (CAS 14504-87-1), with molecular formula C26H32Cl2N4O6 and molecular weight 566.17 g/mol. IUPAC: ethyl 2-[[2-acetamido-3-(4-nitrophenyl)propanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate.
Chemical Property Profile of ethyl 2-[[2-acetamido-3-(4-nitrophenyl)propanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate
Property Insights of ethyl 2-[[2-acetamido-3-(4-nitrophenyl)propanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate
The XLogP value of 4.3 indicates that ethyl 2-[[2-acetamido-3-(4-nitrophenyl)propanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[[2-acetamido-3-(4-nitrophenyl)propanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate. Following Lipinski's Rule of Five, ethyl 2-[[2-acetamido-3-(4-nitrophenyl)propanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-[[2-acetamido-3-(4-nitrophenyl)propanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate?
The CAS number of ethyl 2-[[2-acetamido-3-(4-nitrophenyl)propanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate is 14504-87-1.
What is the molecular formula of ethyl 2-[[2-acetamido-3-(4-nitrophenyl)propanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate?
The molecular formula of ethyl 2-[[2-acetamido-3-(4-nitrophenyl)propanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate is C26H32Cl2N4O6.
What is the molecular weight of ethyl 2-[[2-acetamido-3-(4-nitrophenyl)propanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate?
The molecular weight of ethyl 2-[[2-acetamido-3-(4-nitrophenyl)propanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate is 566.17 g/mol.
Where can I buy ethyl 2-[[2-acetamido-3-(4-nitrophenyl)propanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate?
You can request a quote for ethyl 2-[[2-acetamido-3-(4-nitrophenyl)propanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[[2-acetamido-3-(4-nitrophenyl)propanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[[2-acetamido-3-(4-nitrophenyl)propanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.