RefChem:408815
TL;DR: RefChem:408815 (CAS 63059-36-9) is a chemical compound with molecular formula C23H28N4O10 and molecular weight 520.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-butyl-5-[3-[1-butyl-3-(carboxymethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]prop-1-enyl]-2,4,6-trioxo-1,3-diazinan-1-yl]acetic acid
Also Known As: 1(2H)-Pyrimidineacetic acid, 3-butyl-5-(3-(1-butyl-3-(carboxymethyl)hexahydro-2,4,6-trioxo-5-pyrimidinyl)-2-propen-1-ylidene)tetrahydro-2,4,6-trioxo-, 1(2H)-Pyrimidineacetic acid, 3-butyl-5-(3-(1-butyl-3-(carboxymethyl)hexahydro-2,4,6-trioxo-5-pyrimidinyl)-2-propenylidene)tetrahydro-2,4,6-trioxo-, 2-[3-butyl-5-[3-[1-butyl-3-(carboxymethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]prop-1-enyl]-2,4,6-trioxo-1,3-diazinan-1-yl]acetic acid, 3-Butyl-5-(3-(1-butyl-3-(carboxymethyl)-1,2,3,4-tetrahydro-6-hydroxy-2,4-dioxopyrimidin-5-yl)allylidene)tetrahydro-2,4,6-trioxo-2H-pyrimidine-1-acetic acid, (3-Butyl-5-{3-[1-butyl-3-(carboxymethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]prop-1-en-1-yl}-2,4,6-trioxo-1,3-diazinan-1-yl)acetic acid
| Molecular Formula | C23H28N4O10 |
|---|---|
| Molecular Weight | 520.18 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 190.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 520.18054 |
| Heavy Atoms | 37 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 63059-36-9 |
|---|---|
| SMILES | CCCCN1C(=O)C(C(=O)N(C1=O)CC(=O)O)C=CC=C2C(=O)N(C(=O)N(C2=O)CC(=O)O)CCCC |
| InChIKey | BKUASDLXQNZBOS-UHFFFAOYSA-N |
Product Overview
RefChem:408815 (CAS 63059-36-9), with molecular formula C23H28N4O10 and molecular weight 520.18 g/mol. IUPAC: 2-[3-butyl-5-[3-[1-butyl-3-(carboxymethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]prop-1-enyl]-2,4,6-trioxo-1,3-diazinan-1-yl]acetic acid.
Chemical Property Profile of RefChem:408815
Property Insights of RefChem:408815
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:408815. The TPSA of 190.0 Ų indicates high polarity, suggesting RefChem:408815 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:408815 has 2 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:408815?
The CAS number of RefChem:408815 is 63059-36-9.
What is the molecular formula of RefChem:408815?
The molecular formula of RefChem:408815 is C23H28N4O10.
What is the molecular weight of RefChem:408815?
The molecular weight of RefChem:408815 is 520.18 g/mol.
Where can I buy RefChem:408815?
You can request a quote for RefChem:408815 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:408815?
Yes, KEHONG BIO provides custom synthesis services for RefChem:408815 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.