Alanine, ethyl ester L-
TL;DR: Alanine, ethyl ester L- (CAS 157371-80-7) is a chemical compound with molecular formula C19H27Cl2N3O4 and molecular weight 431.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-acetamidoacetyl)amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate
Also Known As: Alanine, ethyl ester L-, ethyl 2-[(2-acetamidoacetyl)amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate, ethyl n-acetylglycyl-4-[bis(2-chloroethyl)amino]phenylalaninate, 1H-Pyrrole-2-carboxylic acid,3-(4-morpholinyl)-4-phenyl, Alanine, N-(N-acetylglycyl)-3-[p-[bis(2-chloroethyl)amino]phenyl]-, ethyl ester L-
| Molecular Formula | C19H27Cl2N3O4 |
|---|---|
| Molecular Weight | 431.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 431.13785 |
| Heavy Atoms | 28 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 157371-80-7 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)CNC(=O)C |
| InChIKey | IJEGJZKBIJEHCV-UHFFFAOYSA-N |
Product Overview
Alanine, ethyl ester L- (CAS 157371-80-7), with molecular formula C19H27Cl2N3O4 and molecular weight 431.14 g/mol. IUPAC: ethyl 2-[(2-acetamidoacetyl)amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate.
Chemical Property Profile of Alanine, ethyl ester L-
Property Insights of Alanine, ethyl ester L-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alanine, ethyl ester L-. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Alanine, ethyl ester L-. Following Lipinski's Rule of Five, Alanine, ethyl ester L- has 2 hydrogen bond donor(s) and 5 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 Alanine, ethyl ester L-?
The CAS number of Alanine, ethyl ester L- is 157371-80-7.
What is the molecular formula of Alanine, ethyl ester L-?
The molecular formula of Alanine, ethyl ester L- is C19H27Cl2N3O4.
What is the molecular weight of Alanine, ethyl ester L-?
The molecular weight of Alanine, ethyl ester L- is 431.14 g/mol.
Where can I buy Alanine, ethyl ester L-?
You can request a quote for Alanine, ethyl ester L- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alanine, ethyl ester L-?
Yes, KEHONG BIO provides custom synthesis services for Alanine, ethyl ester L- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.