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Ethyl 4-[bis(2-chloroethyl)amino]-N-formylphenylalanylphenylalaninate
TL;DR: Ethyl 4-[bis(2-chloroethyl)amino]-N-formylphenylalanylphenylalaninate (CAS 7409-37-2) is a chemical compound with molecular formula C25H31Cl2N3O4 and molecular weight 507.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-[4-[bis(2-chloroethyl)amino]phenyl]-2-formamidopropanoyl]amino]-3-phenylpropanoate
Also Known As: Ethyl 4-[bis(2-chloroethyl)amino]-N-formylphenylalanylphenylalaninate, ethyl 2-[[3-[4-[bis(2-chloroethyl)amino]phenyl]-2-formamidop, ethyl 2-[[3-[4-[bis(2-chloroethyl)amino]phenyl]-2-formamido-propanoyl]amino]-3-phenyl-propanoate, ethyl 2-[[3-[4-[bis(2-chloroethyl)amino]phenyl]-2-formamidopropanoyl]amino]-3-phenylpropanoate
| Molecular Formula | C25H31Cl2N3O4 |
|---|---|
| Molecular Weight | 507.17 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 15 |
| Exact Mass | 507.16916 |
| Heavy Atoms | 34 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 7409-37-2 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=C(C=C2)N(CCCl)CCCl)NC=O |
| InChIKey | MUTLTYCRUBIYGG-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[bis(2-chloroethyl)amino]-N-formylphenylalanylphenylalaninate (CAS 7409-37-2), with molecular formula C25H31Cl2N3O4 and molecular weight 507.17 g/mol. IUPAC: ethyl 2-[[3-[4-[bis(2-chloroethyl)amino]phenyl]-2-formamidopropanoyl]amino]-3-phenylpropanoate.
Chemical Property Profile of Ethyl 4-[bis(2-chloroethyl)amino]-N-formylphenylalanylphenylalaninate
Property Insights of Ethyl 4-[bis(2-chloroethyl)amino]-N-formylphenylalanylphenylalaninate
The XLogP value of 4.5 indicates that Ethyl 4-[bis(2-chloroethyl)amino]-N-formylphenylalanylphenylalaninate 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 Ethyl 4-[bis(2-chloroethyl)amino]-N-formylphenylalanylphenylalaninate. Following Lipinski's Rule of Five, Ethyl 4-[bis(2-chloroethyl)amino]-N-formylphenylalanylphenylalaninate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-[bis(2-chloroethyl)amino]-N-formylphenylalanylphenylalaninate?
The CAS number of Ethyl 4-[bis(2-chloroethyl)amino]-N-formylphenylalanylphenylalaninate is 7409-37-2.
What is the molecular formula of Ethyl 4-[bis(2-chloroethyl)amino]-N-formylphenylalanylphenylalaninate?
The molecular formula of Ethyl 4-[bis(2-chloroethyl)amino]-N-formylphenylalanylphenylalaninate is C25H31Cl2N3O4.
What is the molecular weight of Ethyl 4-[bis(2-chloroethyl)amino]-N-formylphenylalanylphenylalaninate?
The molecular weight of Ethyl 4-[bis(2-chloroethyl)amino]-N-formylphenylalanylphenylalaninate is 507.17 g/mol.
Where can I buy Ethyl 4-[bis(2-chloroethyl)amino]-N-formylphenylalanylphenylalaninate?
You can request a quote for Ethyl 4-[bis(2-chloroethyl)amino]-N-formylphenylalanylphenylalaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[bis(2-chloroethyl)amino]-N-formylphenylalanylphenylalaninate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[bis(2-chloroethyl)amino]-N-formylphenylalanylphenylalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.