![2-[[4-(1-Carboxyethylimino)cyclohexa-2,5-dien-1-ylidene]amino]propanoic acid structure](/static/products/7643/76435-53-5.webp)
2-[[4-(1-Carboxyethylimino)cyclohexa-2,5-dien-1-ylidene]amino]propanoic acid
TL;DR: 2-[[4-(1-Carboxyethylimino)cyclohexa-2,5-dien-1-ylidene]amino]propanoic acid (CAS 76435-53-5) is a chemical compound with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(1-carboxyethylimino)cyclohexa-2,5-dien-1-ylidene]amino]propanoic acid
Also Known As: 2,2'-{Cyclohexa-2,5-diene-1,4-diylidenebis[(E)-azanylylidene]}dipropanoic acid, 2,2'-{Cyclohexa-2,5-diene-1,4-diylidenebis[(E)azanylylidene]}dipropanoic acid, 2-[[4-(1-Carboxyethylimino)cyclohexa-2,5-dien-1-ylidene]amino]propanoic acid, 2-[[4-(1-hydroxy-1-oxopropan-2-yl)iminocyclohexa-2,5-dien-1-ylidene]amino]propanoic acid
| Molecular Formula | C12H14N2O4 |
|---|---|
| Molecular Weight | 250.10 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 99.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.09535 |
| Heavy Atoms | 18 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 76435-53-5 |
|---|---|
| SMILES | CC(C(=O)O)N=C1C=CC(=NC(C)C(=O)O)C=C1 |
| InChIKey | FPERDOHNEFDJEF-UHFFFAOYSA-N |
Product Overview
2-[[4-(1-Carboxyethylimino)cyclohexa-2,5-dien-1-ylidene]amino]propanoic acid (CAS 76435-53-5), with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol. IUPAC: 2-[[4-(1-carboxyethylimino)cyclohexa-2,5-dien-1-ylidene]amino]propanoic acid.
Chemical Property Profile of 2-[[4-(1-Carboxyethylimino)cyclohexa-2,5-dien-1-ylidene]amino]propanoic acid
Property Insights of 2-[[4-(1-Carboxyethylimino)cyclohexa-2,5-dien-1-ylidene]amino]propanoic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[4-(1-Carboxyethylimino)cyclohexa-2,5-dien-1-ylidene]amino]propanoic acid. The TPSA of 99.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[4-(1-Carboxyethylimino)cyclohexa-2,5-dien-1-ylidene]amino]propanoic acid. Following Lipinski's Rule of Five, 2-[[4-(1-Carboxyethylimino)cyclohexa-2,5-dien-1-ylidene]amino]propanoic acid has 2 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-[[4-(1-Carboxyethylimino)cyclohexa-2,5-dien-1-ylidene]amino]propanoic acid?
The CAS number of 2-[[4-(1-Carboxyethylimino)cyclohexa-2,5-dien-1-ylidene]amino]propanoic acid is 76435-53-5.
What is the molecular formula of 2-[[4-(1-Carboxyethylimino)cyclohexa-2,5-dien-1-ylidene]amino]propanoic acid?
The molecular formula of 2-[[4-(1-Carboxyethylimino)cyclohexa-2,5-dien-1-ylidene]amino]propanoic acid is C12H14N2O4.
What is the molecular weight of 2-[[4-(1-Carboxyethylimino)cyclohexa-2,5-dien-1-ylidene]amino]propanoic acid?
The molecular weight of 2-[[4-(1-Carboxyethylimino)cyclohexa-2,5-dien-1-ylidene]amino]propanoic acid is 250.10 g/mol.
Where can I buy 2-[[4-(1-Carboxyethylimino)cyclohexa-2,5-dien-1-ylidene]amino]propanoic acid?
You can request a quote for 2-[[4-(1-Carboxyethylimino)cyclohexa-2,5-dien-1-ylidene]amino]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-[[4-(1-Carboxyethylimino)cyclohexa-2,5-dien-1-ylidene]amino]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-(1-Carboxyethylimino)cyclohexa-2,5-dien-1-ylidene]amino]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.