![Ethyl 2-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]acetate structure](/static/products/4251/4251-82-5.webp)
Ethyl 2-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]acetate
TL;DR: Ethyl 2-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]acetate (CAS 4251-82-5) is a chemical compound with molecular formula C15H20Cl2N2O3 and molecular weight 346.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]acetate
Also Known As: ethyl 2-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]acetate, Ethyl N-{4-[bis(2-chloroethyl)amino]benzoyl}glycinate
| Molecular Formula | C15H20Cl2N2O3 |
|---|---|
| Molecular Weight | 346.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 346.08508 |
| Heavy Atoms | 22 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 4251-82-5 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)C1=CC=C(C=C1)N(CCCl)CCCl |
| InChIKey | QAMBYTQUIVWEJI-UHFFFAOYSA-N |
Product Overview
Ethyl 2-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]acetate (CAS 4251-82-5), with molecular formula C15H20Cl2N2O3 and molecular weight 346.09 g/mol. IUPAC: ethyl 2-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]acetate.
Chemical Property Profile of Ethyl 2-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]acetate
Property Insights of Ethyl 2-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]acetate. With a topological polar surface area (TPSA) of 58.6 Ų, Ethyl 2-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]acetate has 1 hydrogen bond donor(s) and 4 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 Ethyl 2-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]acetate?
The CAS number of Ethyl 2-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]acetate is 4251-82-5.
What is the molecular formula of Ethyl 2-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]acetate?
The molecular formula of Ethyl 2-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]acetate is C15H20Cl2N2O3.
What is the molecular weight of Ethyl 2-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]acetate?
The molecular weight of Ethyl 2-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]acetate is 346.09 g/mol.
Where can I buy Ethyl 2-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]acetate?
You can request a quote for Ethyl 2-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.