A3793/0161057
TL;DR: A3793/0161057 (CAS 727684-33-5) is a chemical compound with molecular formula C18H21N3O4 and molecular weight 343.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-benzylpiperidin-1-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
Also Known As: A3793/0161057, 2,6-dioxo-5-{[4-benzylpiperidyl]methyl}-1,3-dihydropyrimidine-4-carboxylic aci d, 5-[(4-benzylpiperidin-1-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid, 5-(4-Benzyl-piperidin-1-ylmethyl)-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carboxylic acid, 5-[(4-benzyl-1-piperidinyl)methyl]-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid
| Molecular Formula | C18H21N3O4 |
|---|---|
| Molecular Weight | 343.15 g/mol |
| LogP | 1.2161 |
| Topological Polar Surface Area | 106.26 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.1532 |
| Heavy Atoms | 25 |
| Complexity | 848.6152 |
Chemical Identifiers
| CAS Number | 727684-33-5 |
|---|---|
| SMILES | C1CN(CCC1CC2=CC=CC=C2)CC3=C(NC(=O)NC3=O)C(=O)O |
Product Overview
A3793/0161057 (CAS 727684-33-5), with molecular formula C18H21N3O4 and molecular weight 343.15 g/mol. IUPAC: 5-[(4-benzylpiperidin-1-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.
Chemical Property Profile of A3793/0161057
Property Insights of A3793/0161057
The XLogP value of 1.2161 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3793/0161057. The TPSA of 106.26 Ų falls within the moderate polarity range, balancing permeability and solubility for A3793/0161057. Following Lipinski's Rule of Five, A3793/0161057 has 3 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 A3793/0161057?
The CAS number of A3793/0161057 is 727684-33-5.
What is the molecular formula of A3793/0161057?
The molecular formula of A3793/0161057 is C18H21N3O4.
What is the molecular weight of A3793/0161057?
The molecular weight of A3793/0161057 is 343.15 g/mol.
Where can I buy A3793/0161057?
You can request a quote for A3793/0161057 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3793/0161057?
Yes, KEHONG BIO provides custom synthesis services for A3793/0161057 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.