Alanine, ethyl ester L-
TL;DR: Alanine, ethyl ester L- (CAS 95975-71-6) 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 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[(2-formamido-3-phenylpropanoyl)amino]propanoate
Also Known As: Alanine, ethyl ester L-, NCI60_032326, ethyl n-formylphenylalanyl-4-[bis(2-chloroethyl)amino]phenylalaninate, ethyl 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[(2-formamido-3-phenylpropanoyl)amino]propanoate, N-(3-{4-[Bis(2-chloroethyl)amino]phenyl}-1-ethoxy-1-oxopropan-2-yl)-2-[(hydroxymethylidene)amino]-3-phenylpropanimidic acid
| 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 | 95975-71-6 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C(CC2=CC=CC=C2)NC=O |
| InChIKey | IGMJUMLGHIBRFY-UHFFFAOYSA-N |
Product Overview
Alanine, ethyl ester L- (CAS 95975-71-6), with molecular formula C25H31Cl2N3O4 and molecular weight 507.17 g/mol. IUPAC: ethyl 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[(2-formamido-3-phenylpropanoyl)amino]propanoate.
Chemical Property Profile of Alanine, ethyl ester L-
Property Insights of Alanine, ethyl ester L-
The XLogP value of 4.5 indicates that Alanine, ethyl ester L- 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 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), which may warrant consideration for formulation optimization.
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 95975-71-6.
What is the molecular formula of Alanine, ethyl ester L-?
The molecular formula of Alanine, ethyl ester L- is C25H31Cl2N3O4.
What is the molecular weight of Alanine, ethyl ester L-?
The molecular weight of Alanine, ethyl ester L- is 507.17 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.