1,3(2H,4H)-Pyrimidine-2,4,6-trione, 5,5-diethyldihydro-1,3-bis(carboxyphenylcarbamoylmethyl)-
TL;DR: 1,3(2H,4H)-Pyrimidine-2,4,6-trione, 5,5-diethyldihydro-1,3-bis(carboxyphenylcarbamoylmethyl)- (CAS 70959-45-4) is a chemical compound with molecular formula C26H26N4O9 and molecular weight 538.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[3-[2-(4-carboxyanilino)-2-oxoethyl]-5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl]acetyl]amino]benzoic acid
Also Known As: 1,3(2H,4H)-Pyrimidine-2,4,6-trione, 5,5-diethyldihydro-1,3-bis(carboxyphenylcarbamoylmethyl)-, Benzoic acid, 4,4'-((5,5-diethyldihydro-2,4,6-trioxo-1,3(2H,4H)-pyrimidinediyl)bis(1-oxo-2,1-ethanediyl)imino))bis-, 4,4'-{(5,5-Diethyl-2,4,6-trioxo-1,3-diazinane-1,3-diyl)bis[(1-oxoethane-2,1-diyl)azanediyl]}dibenzoic acid, 4-[[2-[3-[2-(4-carboxyanilino)-2-oxoethyl]-5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl]acetyl]amino]benzoic acid, RefChem:327247
| Molecular Formula | C26H26N4O9 |
|---|---|
| Molecular Weight | 538.17 g/mol |
| LogP | 2.2574 |
| Topological Polar Surface Area | 190.49 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 538.17 |
| Heavy Atoms | 39 |
| Complexity | 1234.7019 |
Chemical Identifiers
| CAS Number | 70959-45-4 |
|---|---|
| SMILES | CCC1(C(=O)N(C(=O)N(C1=O)CC(=O)NC2=CC=C(C=C2)C(=O)O)CC(=O)NC3=CC=C(C=C3)C(=O)O)CC |
Product Overview
1,3(2H,4H)-Pyrimidine-2,4,6-trione, 5,5-diethyldihydro-1,3-bis(carboxyphenylcarbamoylmethyl)- (CAS 70959-45-4), with molecular formula C26H26N4O9 and molecular weight 538.17 g/mol. IUPAC: 4-[[2-[3-[2-(4-carboxyanilino)-2-oxoethyl]-5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl]acetyl]amino]benzoic acid.
Chemical Property Profile of 1,3(2H,4H)-Pyrimidine-2,4,6-trione, 5,5-diethyldihydro-1,3-bis(carboxyphenylcarbamoylmethyl)-
Property Insights of 1,3(2H,4H)-Pyrimidine-2,4,6-trione, 5,5-diethyldihydro-1,3-bis(carboxyphenylcarbamoylmethyl)-
The XLogP value of 2.2574 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3(2H,4H)-Pyrimidine-2,4,6-trione, 5,5-diethyldihydro-1,3-bis(carboxyphenylcarbamoylmethyl)-. The TPSA of 190.49 Ų indicates high polarity, suggesting 1,3(2H,4H)-Pyrimidine-2,4,6-trione, 5,5-diethyldihydro-1,3-bis(carboxyphenylcarbamoylmethyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3(2H,4H)-Pyrimidine-2,4,6-trione, 5,5-diethyldihydro-1,3-bis(carboxyphenylcarbamoylmethyl)- has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3(2H,4H)-Pyrimidine-2,4,6-trione, 5,5-diethyldihydro-1,3-bis(carboxyphenylcarbamoylmethyl)-?
The CAS number of 1,3(2H,4H)-Pyrimidine-2,4,6-trione, 5,5-diethyldihydro-1,3-bis(carboxyphenylcarbamoylmethyl)- is 70959-45-4.
What is the molecular formula of 1,3(2H,4H)-Pyrimidine-2,4,6-trione, 5,5-diethyldihydro-1,3-bis(carboxyphenylcarbamoylmethyl)-?
The molecular formula of 1,3(2H,4H)-Pyrimidine-2,4,6-trione, 5,5-diethyldihydro-1,3-bis(carboxyphenylcarbamoylmethyl)- is C26H26N4O9.
What is the molecular weight of 1,3(2H,4H)-Pyrimidine-2,4,6-trione, 5,5-diethyldihydro-1,3-bis(carboxyphenylcarbamoylmethyl)-?
The molecular weight of 1,3(2H,4H)-Pyrimidine-2,4,6-trione, 5,5-diethyldihydro-1,3-bis(carboxyphenylcarbamoylmethyl)- is 538.17 g/mol.
Where can I buy 1,3(2H,4H)-Pyrimidine-2,4,6-trione, 5,5-diethyldihydro-1,3-bis(carboxyphenylcarbamoylmethyl)-?
You can request a quote for 1,3(2H,4H)-Pyrimidine-2,4,6-trione, 5,5-diethyldihydro-1,3-bis(carboxyphenylcarbamoylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3(2H,4H)-Pyrimidine-2,4,6-trione, 5,5-diethyldihydro-1,3-bis(carboxyphenylcarbamoylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3(2H,4H)-Pyrimidine-2,4,6-trione, 5,5-diethyldihydro-1,3-bis(carboxyphenylcarbamoylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.