![3-{[(1E)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)propyl]amino}benzoic acid structure](/static/products/714/714938-68-8.png)
3-{[(1E)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)propyl]amino}benzoic acid
TL;DR: 3-{[(1E)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)propyl]amino}benzoic acid (CAS 714938-68-8) is a chemical compound with molecular formula C14H13N3O5 and molecular weight 303.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)propylideneamino]benzoic acid
Also Known As: 3-[1-(2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoic Acid, 3-((1-(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoic acid, 3-{[(1E)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)propyl]amino}benzoic acid
| Molecular Formula | C14H13N3O5 |
|---|---|
| Molecular Weight | 303.09 g/mol |
| LogP | 0.9978 |
| Topological Polar Surface Area | 135.61 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.0855 |
| Heavy Atoms | 22 |
| Complexity | 863.2674 |
Chemical Identifiers
| CAS Number | 714938-68-8 |
|---|---|
| SMILES | CCC(=NC1=CC=CC(=C1)C(=O)O)C2=C(NC(=O)NC2=O)O |
Product Overview
3-{[(1E)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)propyl]amino}benzoic acid (CAS 714938-68-8), with molecular formula C14H13N3O5 and molecular weight 303.09 g/mol. IUPAC: 3-[1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)propylideneamino]benzoic acid.
Chemical Property Profile of 3-{[(1E)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)propyl]amino}benzoic acid
Property Insights of 3-{[(1E)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)propyl]amino}benzoic acid
The XLogP value of 0.9978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[(1E)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)propyl]amino}benzoic acid. The TPSA of 135.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(1E)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)propyl]amino}benzoic acid. Following Lipinski's Rule of Five, 3-{[(1E)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)propyl]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 3-{[(1E)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)propyl]amino}benzoic acid?
The CAS number of 3-{[(1E)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)propyl]amino}benzoic acid is 714938-68-8.
What is the molecular formula of 3-{[(1E)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)propyl]amino}benzoic acid?
The molecular formula of 3-{[(1E)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)propyl]amino}benzoic acid is C14H13N3O5.
What is the molecular weight of 3-{[(1E)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)propyl]amino}benzoic acid?
The molecular weight of 3-{[(1E)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)propyl]amino}benzoic acid is 303.09 g/mol.
Where can I buy 3-{[(1E)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)propyl]amino}benzoic acid?
You can request a quote for 3-{[(1E)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)propyl]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 3-{[(1E)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)propyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(1E)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)propyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.