4-(1,3-Dimethyl-2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-benzoic acid
TL;DR: 4-(1,3-Dimethyl-2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-benzoic acid (CAS 340317-72-8) is a chemical compound with molecular formula C14H12N2O5 and molecular weight 288.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid
Also Known As: 4-(1,3-Dimethyl-2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-benzoic acid, BAS 02737643, BIM-0038826.P001, 4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid, 3-(2,5-dimethylpyrrolyl)-4-hydroxybenzoic acid
| Molecular Formula | C14H12N2O5 |
|---|---|
| Molecular Weight | 288.07 g/mol |
| LogP | 0.8186 |
| Topological Polar Surface Area | 94.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.07462 |
| Heavy Atoms | 21 |
| Complexity | 649.10974 |
Chemical Identifiers
| CAS Number | 340317-72-8 |
|---|---|
| SMILES | CN1C(=O)C(=CC2=CC=C(C=C2)C(=O)O)C(=O)N(C1=O)C |
Product Overview
4-(1,3-Dimethyl-2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-benzoic acid (CAS 340317-72-8), with molecular formula C14H12N2O5 and molecular weight 288.07 g/mol. IUPAC: 4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid.
Chemical Property Profile of 4-(1,3-Dimethyl-2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-benzoic acid
Property Insights of 4-(1,3-Dimethyl-2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-benzoic acid
The XLogP value of 0.8186 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3-Dimethyl-2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-benzoic acid. The TPSA of 94.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-Dimethyl-2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-benzoic acid. Following Lipinski's Rule of Five, 4-(1,3-Dimethyl-2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-benzoic acid has 1 hydrogen bond donor(s) and 4 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 4-(1,3-Dimethyl-2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-benzoic acid?
The CAS number of 4-(1,3-Dimethyl-2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-benzoic acid is 340317-72-8.
What is the molecular formula of 4-(1,3-Dimethyl-2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-benzoic acid?
The molecular formula of 4-(1,3-Dimethyl-2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-benzoic acid is C14H12N2O5.
What is the molecular weight of 4-(1,3-Dimethyl-2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-benzoic acid?
The molecular weight of 4-(1,3-Dimethyl-2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-benzoic acid is 288.07 g/mol.
Where can I buy 4-(1,3-Dimethyl-2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-benzoic acid?
You can request a quote for 4-(1,3-Dimethyl-2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-Dimethyl-2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Dimethyl-2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.