![2-[(2,4,6-Trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid structure](/static/products/913/91330-48-2.png)
2-[(2,4,6-Trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid
TL;DR: 2-[(2,4,6-Trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid (CAS 91330-48-2) is a chemical compound with molecular formula C12H8N2O5 and molecular weight 260.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid
Also Known As: 2-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid, A3068/0129687, 2-((2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoic acid, F3412-0019, 2-(2,4,6-Trioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-benzoic acid
| Molecular Formula | C12H8N2O5 |
|---|---|
| Molecular Weight | 260.04 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.04333 |
| Heavy Atoms | 19 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 91330-48-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=C2C(=O)NC(=O)NC2=O)C(=O)O |
| InChIKey | LPWPSIFBADLDNB-UHFFFAOYSA-N |
Product Overview
2-[(2,4,6-Trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid (CAS 91330-48-2), with molecular formula C12H8N2O5 and molecular weight 260.04 g/mol. IUPAC: 2-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid.
Chemical Property Profile of 2-[(2,4,6-Trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid
Property Insights of 2-[(2,4,6-Trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2,4,6-Trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2,4,6-Trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid. Following Lipinski's Rule of Five, 2-[(2,4,6-Trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid has 3 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-[(2,4,6-Trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid?
The CAS number of 2-[(2,4,6-Trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid is 91330-48-2.
What is the molecular formula of 2-[(2,4,6-Trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid?
The molecular formula of 2-[(2,4,6-Trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid is C12H8N2O5.
What is the molecular weight of 2-[(2,4,6-Trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid?
The molecular weight of 2-[(2,4,6-Trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid is 260.04 g/mol.
Where can I buy 2-[(2,4,6-Trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid?
You can request a quote for 2-[(2,4,6-Trioxo-1,3-diazinan-5-ylidene)methyl]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-[(2,4,6-Trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,4,6-Trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.