RefChem:408817
TL;DR: RefChem:408817 (CAS 63059-35-8) is a chemical compound with molecular formula C25H27N4Na3O10 and molecular weight 612.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;2-[3-butyl-5-[5-[1-butyl-3-(carboxylatomethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]penta-1,3-dienyl]-6-oxido-2,4-dioxopyrimidin-1-yl]acetate
Also Known As: 1(2H)-Pyrimidineacetic acid, 3-butyl-5-(5-(1-butyl-3-(carboxymethyl)hexahydro-2,4,6-trioxo-5-pyrimidinyl)-2,4-pentadienylidene)tetrahydro-2,4,6-trioxo-, ion(1-), sodium, disodium salt, 1(2H)-Pyrimidineacetic acid, 3-butyl-5-(5-(1-butyl-3-(carboxymethyl)hexahydro-2,4,6-trioxo-5-pyrimidinyl)-2,4-pentadien-1-ylidene)tetrahydro-2,4,6-trioxo-, ion(1-), sodium, sodium salt (1:1:2), 1(2H)-Pyrimidineacetic acid, 3-butyl-5-[5-[1-butyl-3-(carboxymethyl)hexahydro-2,4,6-trioxo-5-pyrimidinyl]-2,4-pentadienylidene]tetrahydro-2,4,6-trioxo-, ion(1-), sodium, disodium salt, 1(2H)-Pyrimidineacetic acid, 3-butyl-5-[5-[1-butyl-3-( carboxymethyl)hexahydro-2,4,6-trioxo-5-pyrimidinyl ]-2,4-pentadienylidene]tetrahydro-2,4,6-trioxo-, ion(1-), sodium, disodium salt, 1(2H)-Pyrimidineacetic acid, 3-butyl-5-[5-[1-butyl-3-(carboxymethyl)-1,2,3,4-tetrahydro-6-hydroxy-2,4-dioxo-5-pyrimidinyl]-2,4-pentadienylidene]tetrahydro-2,4,6-trioxo-, trisodium salt
| Molecular Formula | C25H27N4Na3O10 |
|---|---|
| Molecular Weight | 612.14 g/mol |
| LogP | -11.52 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 612.142 |
| Heavy Atoms | 42 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 63059-35-8 |
|---|---|
| SMILES | CCCCN1C(=O)C(=C(N(C1=O)CC(=O)[O-])[O-])C=CC=CC=C2C(=O)N(C(=O)N(C2=O)CC(=O)[O-])CCCC.[Na+].[Na+].[Na+] |
| InChIKey | RVSRHAKXWJUJBA-UHFFFAOYSA-K |
Product Overview
RefChem:408817 (CAS 63059-35-8), with molecular formula C25H27N4Na3O10 and molecular weight 612.14 g/mol. IUPAC: trisodium;2-[3-butyl-5-[5-[1-butyl-3-(carboxylatomethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]penta-1,3-dienyl]-6-oxido-2,4-dioxopyrimidin-1-yl]acetate.
Chemical Property Profile of RefChem:408817
Property Insights of RefChem:408817
The XLogP value of -11.52 indicates that RefChem:408817 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 202.0 Ų indicates high polarity, suggesting RefChem:408817 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:408817 has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:408817?
The CAS number of RefChem:408817 is 63059-35-8.
What is the molecular formula of RefChem:408817?
The molecular formula of RefChem:408817 is C25H27N4Na3O10.
What is the molecular weight of RefChem:408817?
The molecular weight of RefChem:408817 is 612.14 g/mol.
Where can I buy RefChem:408817?
You can request a quote for RefChem:408817 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:408817?
Yes, KEHONG BIO provides custom synthesis services for RefChem:408817 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.