![2-[Bis(2-cyanoethyl)amino]-3-[4-(2-cyanoethoxy)phenyl]propanoic acid structure](/static/products/5464/5464-51-7.webp)
2-[Bis(2-cyanoethyl)amino]-3-[4-(2-cyanoethoxy)phenyl]propanoic acid
TL;DR: 2-[Bis(2-cyanoethyl)amino]-3-[4-(2-cyanoethoxy)phenyl]propanoic acid (CAS 5464-51-7) is a chemical compound with molecular formula C18H20N4O3 and molecular weight 340.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-cyanoethyl)amino]-3-[4-(2-cyanoethoxy)phenyl]propanoic acid
Also Known As: N,N,O-Tris(2-cyanoethyl)tyrosine, 2-[bis(2-cyanoethyl)amino]-3-[4-(2-cyanoethoxy)phenyl]propanoic acid, 2-[bis(2-cyanoethyl)amino]-3-[4-(2-cyanoethoxy)phenyl]propan, 2-(bis(2-cyanoethyl)amino)-3-[4-(2-cyanoethoxy)phenyl]propanoic Acid
| Molecular Formula | C18H20N4O3 |
|---|---|
| Molecular Weight | 340.15 g/mol |
| LogP | 2.10414 |
| Topological Polar Surface Area | 121.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 340.15353 |
| Heavy Atoms | 25 |
| Complexity | 649.5372 |
Chemical Identifiers
| CAS Number | 5464-51-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(C(=O)O)N(CCC#N)CCC#N)OCCC#N |
Product Overview
2-[Bis(2-cyanoethyl)amino]-3-[4-(2-cyanoethoxy)phenyl]propanoic acid (CAS 5464-51-7), with molecular formula C18H20N4O3 and molecular weight 340.15 g/mol. IUPAC: 2-[bis(2-cyanoethyl)amino]-3-[4-(2-cyanoethoxy)phenyl]propanoic acid.
Chemical Property Profile of 2-[Bis(2-cyanoethyl)amino]-3-[4-(2-cyanoethoxy)phenyl]propanoic acid
Property Insights of 2-[Bis(2-cyanoethyl)amino]-3-[4-(2-cyanoethoxy)phenyl]propanoic acid
The XLogP value of 2.10414 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[Bis(2-cyanoethyl)amino]-3-[4-(2-cyanoethoxy)phenyl]propanoic acid. The TPSA of 121.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[Bis(2-cyanoethyl)amino]-3-[4-(2-cyanoethoxy)phenyl]propanoic acid. Following Lipinski's Rule of Five, 2-[Bis(2-cyanoethyl)amino]-3-[4-(2-cyanoethoxy)phenyl]propanoic acid has 1 hydrogen bond donor(s) and 6 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 2-[Bis(2-cyanoethyl)amino]-3-[4-(2-cyanoethoxy)phenyl]propanoic acid?
The CAS number of 2-[Bis(2-cyanoethyl)amino]-3-[4-(2-cyanoethoxy)phenyl]propanoic acid is 5464-51-7.
What is the molecular formula of 2-[Bis(2-cyanoethyl)amino]-3-[4-(2-cyanoethoxy)phenyl]propanoic acid?
The molecular formula of 2-[Bis(2-cyanoethyl)amino]-3-[4-(2-cyanoethoxy)phenyl]propanoic acid is C18H20N4O3.
What is the molecular weight of 2-[Bis(2-cyanoethyl)amino]-3-[4-(2-cyanoethoxy)phenyl]propanoic acid?
The molecular weight of 2-[Bis(2-cyanoethyl)amino]-3-[4-(2-cyanoethoxy)phenyl]propanoic acid is 340.15 g/mol.
Where can I buy 2-[Bis(2-cyanoethyl)amino]-3-[4-(2-cyanoethoxy)phenyl]propanoic acid?
You can request a quote for 2-[Bis(2-cyanoethyl)amino]-3-[4-(2-cyanoethoxy)phenyl]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[Bis(2-cyanoethyl)amino]-3-[4-(2-cyanoethoxy)phenyl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[Bis(2-cyanoethyl)amino]-3-[4-(2-cyanoethoxy)phenyl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.