![3-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoic Acid structure](/static/products/840/840516-38-3.png)
3-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoic Acid
TL;DR: 3-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoic Acid (CAS 840516-38-3) is a chemical compound with molecular formula C16H17N3O5 and molecular weight 331.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)propylideneamino]benzoic acid
Also Known As: 3-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoic Acid, 3-((1-(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoic acid, 3-{[(1E)-1-(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)propylidene]amino}benzoic acid
| Molecular Formula | C16H17N3O5 |
|---|---|
| Molecular Weight | 331.12 g/mol |
| LogP | 1.0186 |
| Topological Polar Surface Area | 113.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.11682 |
| Heavy Atoms | 24 |
| Complexity | 953.1608 |
Chemical Identifiers
| CAS Number | 840516-38-3 |
|---|---|
| SMILES | CCC(=NC1=CC=CC(=C1)C(=O)O)C2=C(N(C(=O)N(C2=O)C)C)O |
Product Overview
3-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoic Acid (CAS 840516-38-3), with molecular formula C16H17N3O5 and molecular weight 331.12 g/mol. IUPAC: 3-[1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)propylideneamino]benzoic acid.
Chemical Property Profile of 3-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoic Acid
Property Insights of 3-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoic Acid
The XLogP value of 1.0186 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoic Acid. The TPSA of 113.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoic Acid. Following Lipinski's Rule of Five, 3-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]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 3-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoic Acid?
The CAS number of 3-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoic Acid is 840516-38-3.
What is the molecular formula of 3-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoic Acid?
The molecular formula of 3-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoic Acid is C16H17N3O5.
What is the molecular weight of 3-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoic Acid?
The molecular weight of 3-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoic Acid is 331.12 g/mol.
Where can I buy 3-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoic Acid?
You can request a quote for 3-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]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-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.