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Ethyl 4-[bis(2-chloroethyl)amino]-N-formylphenylalanyltryptophanate
TL;DR: Ethyl 4-[bis(2-chloroethyl)amino]-N-formylphenylalanyltryptophanate (CAS 7409-38-3) is a chemical compound with molecular formula C27H32Cl2N4O4 and molecular weight 546.18 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-(1H-indol-3-yl)propanoate
Also Known As: Ethyl 4-[bis(2-chloroethyl)amino]-N-formylphenylalanyltryptophanate, ethyl 2-[[3-[4-[bis(2-chloroethyl)amino]phenyl]-2-formamido-propanoyl]amino]-3-(1H-indol-3-yl)propanoate, ethyl 2-[[3-[4-[bis(2-chloroethyl)amino]phenyl]-2-formamidopropanoyl]amino]-3-(1H-indol-3-yl)propanoate
| Molecular Formula | C27H32Cl2N4O4 |
|---|---|
| Molecular Weight | 546.18 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 15 |
| Exact Mass | 546.18005 |
| Heavy Atoms | 37 |
| Complexity | 717.0 |
Chemical Identifiers
| CAS Number | 7409-38-3 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=C(C=C3)N(CCCl)CCCl)NC=O |
| InChIKey | OSKDCUMOFWLRQB-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[bis(2-chloroethyl)amino]-N-formylphenylalanyltryptophanate (CAS 7409-38-3), with molecular formula C27H32Cl2N4O4 and molecular weight 546.18 g/mol. IUPAC: ethyl 2-[[3-[4-[bis(2-chloroethyl)amino]phenyl]-2-formamidopropanoyl]amino]-3-(1H-indol-3-yl)propanoate.
Chemical Property Profile of Ethyl 4-[bis(2-chloroethyl)amino]-N-formylphenylalanyltryptophanate
Property Insights of Ethyl 4-[bis(2-chloroethyl)amino]-N-formylphenylalanyltryptophanate
The XLogP value of 3.8 indicates that Ethyl 4-[bis(2-chloroethyl)amino]-N-formylphenylalanyltryptophanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[bis(2-chloroethyl)amino]-N-formylphenylalanyltryptophanate. Following Lipinski's Rule of Five, Ethyl 4-[bis(2-chloroethyl)amino]-N-formylphenylalanyltryptophanate has 3 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-formylphenylalanyltryptophanate?
The CAS number of Ethyl 4-[bis(2-chloroethyl)amino]-N-formylphenylalanyltryptophanate is 7409-38-3.
What is the molecular formula of Ethyl 4-[bis(2-chloroethyl)amino]-N-formylphenylalanyltryptophanate?
The molecular formula of Ethyl 4-[bis(2-chloroethyl)amino]-N-formylphenylalanyltryptophanate is C27H32Cl2N4O4.
What is the molecular weight of Ethyl 4-[bis(2-chloroethyl)amino]-N-formylphenylalanyltryptophanate?
The molecular weight of Ethyl 4-[bis(2-chloroethyl)amino]-N-formylphenylalanyltryptophanate is 546.18 g/mol.
Where can I buy Ethyl 4-[bis(2-chloroethyl)amino]-N-formylphenylalanyltryptophanate?
You can request a quote for Ethyl 4-[bis(2-chloroethyl)amino]-N-formylphenylalanyltryptophanate 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-formylphenylalanyltryptophanate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[bis(2-chloroethyl)amino]-N-formylphenylalanyltryptophanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.