A3694/0156752
TL;DR: A3694/0156752 (CAS 704875-31-0) is a chemical compound with molecular formula C14H19N3O6 and molecular weight 325.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-ethoxycarbonylpiperidin-1-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
Also Known As: A3694/0156752, 5-[(4-ethoxycarbonylpiperidin-1-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid, 5-(4-Ethoxycarbonyl-piperidin-1-ylmethyl)-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carboxylic acid, 5-{[4-(ethoxycarbonyl)piperidin-1-yl]methyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
| Molecular Formula | C14H19N3O6 |
|---|---|
| Molecular Weight | 325.13 g/mol |
| LogP | -0.4635 |
| Topological Polar Surface Area | 132.56 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.12738 |
| Heavy Atoms | 23 |
| Complexity | 699.1995 |
Chemical Identifiers
| CAS Number | 704875-31-0 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)CC2=C(NC(=O)NC2=O)C(=O)O |
Product Overview
A3694/0156752 (CAS 704875-31-0), with molecular formula C14H19N3O6 and molecular weight 325.13 g/mol. IUPAC: 5-[(4-ethoxycarbonylpiperidin-1-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.
Chemical Property Profile of A3694/0156752
Property Insights of A3694/0156752
The XLogP value of -0.4635 indicates that A3694/0156752 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.56 Ų falls within the moderate polarity range, balancing permeability and solubility for A3694/0156752. Following Lipinski's Rule of Five, A3694/0156752 has 3 hydrogen bond donor(s) and 6 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 A3694/0156752?
The CAS number of A3694/0156752 is 704875-31-0.
What is the molecular formula of A3694/0156752?
The molecular formula of A3694/0156752 is C14H19N3O6.
What is the molecular weight of A3694/0156752?
The molecular weight of A3694/0156752 is 325.13 g/mol.
Where can I buy A3694/0156752?
You can request a quote for A3694/0156752 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3694/0156752?
Yes, KEHONG BIO provides custom synthesis services for A3694/0156752 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.