![4-[[(1E)-1-(1-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propyl]amino]benzoic acid structure](/static/products/116/1164475-33-5.png)
4-[[(1E)-1-(1-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propyl]amino]benzoic acid
TL;DR: 4-[[(1E)-1-(1-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propyl]amino]benzoic acid (CAS 1164475-33-5) is a chemical compound with molecular formula C18H21N3O5 and molecular weight 359.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-(1-butyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]benzoic acid
Also Known As: 4-[[(1E)-1-(1-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propyl]amino]benzoic acid, 4-[1-(1-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propylamino]benzoic acid, (E)-4-((1-(1-butyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)benzoic acid, 4-{[(1E)-1-(1-butyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)propyl]amino}benzoic acid
| Molecular Formula | C18H21N3O5 |
|---|---|
| Molecular Weight | 359.15 g/mol |
| LogP | 2.2713 |
| Topological Polar Surface Area | 124.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 359.14813 |
| Heavy Atoms | 26 |
| Complexity | 938.7794 |
Chemical Identifiers
| CAS Number | 1164475-33-5 |
|---|---|
| SMILES | CCCCN1C(=C(C(=O)NC1=O)C(=NC2=CC=C(C=C2)C(=O)O)CC)O |
Product Overview
4-[[(1E)-1-(1-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propyl]amino]benzoic acid (CAS 1164475-33-5), with molecular formula C18H21N3O5 and molecular weight 359.15 g/mol. IUPAC: 4-[1-(1-butyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]benzoic acid.
Chemical Property Profile of 4-[[(1E)-1-(1-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propyl]amino]benzoic acid
Property Insights of 4-[[(1E)-1-(1-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propyl]amino]benzoic acid
The XLogP value of 2.2713 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[(1E)-1-(1-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propyl]amino]benzoic acid. The TPSA of 124.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[(1E)-1-(1-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propyl]amino]benzoic acid. Following Lipinski's Rule of Five, 4-[[(1E)-1-(1-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propyl]amino]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 4-[[(1E)-1-(1-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propyl]amino]benzoic acid?
The CAS number of 4-[[(1E)-1-(1-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propyl]amino]benzoic acid is 1164475-33-5.
What is the molecular formula of 4-[[(1E)-1-(1-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propyl]amino]benzoic acid?
The molecular formula of 4-[[(1E)-1-(1-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propyl]amino]benzoic acid is C18H21N3O5.
What is the molecular weight of 4-[[(1E)-1-(1-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propyl]amino]benzoic acid?
The molecular weight of 4-[[(1E)-1-(1-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propyl]amino]benzoic acid is 359.15 g/mol.
Where can I buy 4-[[(1E)-1-(1-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propyl]amino]benzoic acid?
You can request a quote for 4-[[(1E)-1-(1-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propyl]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-[[(1E)-1-(1-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propyl]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[(1E)-1-(1-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)propyl]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.