(Z)-4-((1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoic acid
TL;DR: (Z)-4-((1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoic acid (CAS 373612-29-4) is a chemical compound with molecular formula C15H12N2O5 and molecular weight 300.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(Z)-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)methyl]benzoic acid
Also Known As: (Z)-4-((1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoic acid, 4-[(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)methyl]benzoic Acid, 4-[(Z)-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)methyl]benzoic acid
| Molecular Formula | C15H12N2O5 |
|---|---|
| Molecular Weight | 300.07 g/mol |
| LogP | 1.0326 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.07462 |
| Heavy Atoms | 22 |
| Complexity | 703.14795 |
Chemical Identifiers
| CAS Number | 373612-29-4 |
|---|---|
| SMILES | C=CCN1C(=O)/C(=C\C2=CC=C(C=C2)C(=O)O)/C(=O)NC1=O |
Product Overview
(Z)-4-((1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoic acid (CAS 373612-29-4), with molecular formula C15H12N2O5 and molecular weight 300.07 g/mol. IUPAC: 4-[(Z)-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)methyl]benzoic acid.
Chemical Property Profile of (Z)-4-((1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoic acid
Property Insights of (Z)-4-((1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoic acid
The XLogP value of 1.0326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-4-((1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoic acid. The TPSA of 103.78 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-4-((1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoic acid. Following Lipinski's Rule of Five, (Z)-4-((1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoic acid has 2 hydrogen bond donor(s) and 4 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 (Z)-4-((1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoic acid?
The CAS number of (Z)-4-((1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoic acid is 373612-29-4.
What is the molecular formula of (Z)-4-((1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoic acid?
The molecular formula of (Z)-4-((1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoic acid is C15H12N2O5.
What is the molecular weight of (Z)-4-((1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoic acid?
The molecular weight of (Z)-4-((1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoic acid is 300.07 g/mol.
Where can I buy (Z)-4-((1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoic acid?
You can request a quote for (Z)-4-((1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-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 (Z)-4-((1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-((1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.