![2-{[N-(furan-2-ylmethyl)-alpha-aspartyl]amino}benzoic acid structure](/static/products/121/1214122-08-3.png)
2-{[N-(furan-2-ylmethyl)-alpha-aspartyl]amino}benzoic acid
TL;DR: 2-{[N-(furan-2-ylmethyl)-alpha-aspartyl]amino}benzoic acid (CAS 1214122-08-3) is a chemical compound with molecular formula C16H16N2O6 and molecular weight 332.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-carboxy-2-(furan-2-ylmethylamino)propanoyl]amino]benzoic acid
Also Known As: 2-{[N-(furan-2-ylmethyl)-alpha-aspartyl]amino}benzoic acid, 2-[[3-carboxy-2-(2-furylmethylamino)propanoyl]amino]benzoic Acid, 2-[[2-(furan-2-ylmethylamino)-4-hydroxy-4-oxobutanoyl]amino]benzoic acid
| Molecular Formula | C16H16N2O6 |
|---|---|
| Molecular Weight | 332.10 g/mol |
| LogP | 1.5494 |
| Topological Polar Surface Area | 128.87 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 332.10083 |
| Heavy Atoms | 24 |
| Complexity | 725.9287 |
Chemical Identifiers
| CAS Number | 1214122-08-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC(=O)C(CC(=O)O)NCC2=CC=CO2 |
Product Overview
2-{[N-(furan-2-ylmethyl)-alpha-aspartyl]amino}benzoic acid (CAS 1214122-08-3), with molecular formula C16H16N2O6 and molecular weight 332.10 g/mol. IUPAC: 2-[[3-carboxy-2-(furan-2-ylmethylamino)propanoyl]amino]benzoic acid.
Chemical Property Profile of 2-{[N-(furan-2-ylmethyl)-alpha-aspartyl]amino}benzoic acid
Property Insights of 2-{[N-(furan-2-ylmethyl)-alpha-aspartyl]amino}benzoic acid
The XLogP value of 1.5494 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[N-(furan-2-ylmethyl)-alpha-aspartyl]amino}benzoic acid. The TPSA of 128.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[N-(furan-2-ylmethyl)-alpha-aspartyl]amino}benzoic acid. Following Lipinski's Rule of Five, 2-{[N-(furan-2-ylmethyl)-alpha-aspartyl]amino}benzoic acid has 4 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 2-{[N-(furan-2-ylmethyl)-alpha-aspartyl]amino}benzoic acid?
The CAS number of 2-{[N-(furan-2-ylmethyl)-alpha-aspartyl]amino}benzoic acid is 1214122-08-3.
What is the molecular formula of 2-{[N-(furan-2-ylmethyl)-alpha-aspartyl]amino}benzoic acid?
The molecular formula of 2-{[N-(furan-2-ylmethyl)-alpha-aspartyl]amino}benzoic acid is C16H16N2O6.
What is the molecular weight of 2-{[N-(furan-2-ylmethyl)-alpha-aspartyl]amino}benzoic acid?
The molecular weight of 2-{[N-(furan-2-ylmethyl)-alpha-aspartyl]amino}benzoic acid is 332.10 g/mol.
Where can I buy 2-{[N-(furan-2-ylmethyl)-alpha-aspartyl]amino}benzoic acid?
You can request a quote for 2-{[N-(furan-2-ylmethyl)-alpha-aspartyl]amino}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[N-(furan-2-ylmethyl)-alpha-aspartyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[N-(furan-2-ylmethyl)-alpha-aspartyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.