![3-[(1-cyclopropyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoic Acid structure](/static/products/674/674818-34-9.png)
3-[(1-cyclopropyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoic Acid
TL;DR: 3-[(1-cyclopropyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoic Acid (CAS 674818-34-9) is a chemical compound with molecular formula C15H13N3O4S and molecular weight 331.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(1-cyclopropyl-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl)methylideneamino]benzoic acid
Also Known As: 3-[(1-cyclopropyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoic Acid, (E)-3-(((1-cyclopropyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoic acid, 3-[[(E)-(1-cyclopropyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]amino]benzoic acid, 3-{[(E)-(1-cyclopropyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]amino}benzoic acid
| Molecular Formula | C15H13N3O4S |
|---|---|
| Molecular Weight | 331.06 g/mol |
| LogP | 2.39519 |
| Topological Polar Surface Area | 107.68 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.06268 |
| Heavy Atoms | 23 |
| Complexity | 925.04974 |
Chemical Identifiers
| CAS Number | 674818-34-9 |
|---|---|
| SMILES | C1CC1N2C(=C(C(=O)NC2=S)C=NC3=CC=CC(=C3)C(=O)O)O |
Product Overview
3-[(1-cyclopropyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoic Acid (CAS 674818-34-9), with molecular formula C15H13N3O4S and molecular weight 331.06 g/mol. IUPAC: 3-[(1-cyclopropyl-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl)methylideneamino]benzoic acid.
Chemical Property Profile of 3-[(1-cyclopropyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoic Acid
Property Insights of 3-[(1-cyclopropyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoic Acid
The XLogP value of 2.39519 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(1-cyclopropyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoic Acid. The TPSA of 107.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(1-cyclopropyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoic Acid. Following Lipinski's Rule of Five, 3-[(1-cyclopropyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]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 3-[(1-cyclopropyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoic Acid?
The CAS number of 3-[(1-cyclopropyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoic Acid is 674818-34-9.
What is the molecular formula of 3-[(1-cyclopropyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoic Acid?
The molecular formula of 3-[(1-cyclopropyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoic Acid is C15H13N3O4S.
What is the molecular weight of 3-[(1-cyclopropyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoic Acid?
The molecular weight of 3-[(1-cyclopropyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoic Acid is 331.06 g/mol.
Where can I buy 3-[(1-cyclopropyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoic Acid?
You can request a quote for 3-[(1-cyclopropyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]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-cyclopropyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(1-cyclopropyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.