![4-[[(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino]benzoic acid structure](/static/products/2216/221661-98-9.webp)
4-[[(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino]benzoic acid
TL;DR: 4-[[(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino]benzoic acid (CAS 221661-98-9) 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.
4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]benzoic acid
Also Known As: 4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]benzoic Acid, 4-[[(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino]benzoic acid, 4-{[(1,3-dimethyl-2,4,6-trioxo-1,3-dihydropyrimidin-5-ylidene)methyl]amino}ben zoic acid
| Molecular Formula | C14H13N3O5 |
|---|---|
| Molecular Weight | 303.09 g/mol |
| LogP | 0.2384 |
| Topological Polar Surface Area | 113.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.0855 |
| Heavy Atoms | 22 |
| Complexity | 875.0769 |
Chemical Identifiers
| CAS Number | 221661-98-9 |
|---|---|
| SMILES | CN1C(=C(C(=O)N(C1=O)C)C=NC2=CC=C(C=C2)C(=O)O)O |
Product Overview
4-[[(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino]benzoic acid (CAS 221661-98-9), with molecular formula C14H13N3O5 and molecular weight 303.09 g/mol. IUPAC: 4-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]benzoic acid.
Chemical Property Profile of 4-[[(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino]benzoic acid
Property Insights of 4-[[(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino]benzoic acid
The XLogP value of 0.2384 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino]benzoic acid. The TPSA of 113.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino]benzoic acid. Following Lipinski's Rule of Five, 4-[[(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino]benzoic acid has 2 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 4-[[(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino]benzoic acid?
The CAS number of 4-[[(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino]benzoic acid is 221661-98-9.
What is the molecular formula of 4-[[(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino]benzoic acid?
The molecular formula of 4-[[(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino]benzoic acid is C14H13N3O5.
What is the molecular weight of 4-[[(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino]benzoic acid?
The molecular weight of 4-[[(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino]benzoic acid is 303.09 g/mol.
Where can I buy 4-[[(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino]benzoic acid?
You can request a quote for 4-[[(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]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 4-[[(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.