IFLab1_004709
TL;DR: IFLab1_004709 (CAS 433952-67-1) is a chemical compound with molecular formula C16H20N4O2S2 and molecular weight 364.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]propanoic acid
Also Known As: IFLab1_004709, 3-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-2-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}propanoic acid, IDI1_010464, 3-[(4,6-dimethylpyrimidin-2-yl)thio]-2-{[(4,6-dimethylpyrimidin-2-yl)thio]methyl}propanoic acid, 3-((4,6-dimethylpyrimidin-2-yl)thio)-2-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)propanoic acid
| Molecular Formula | C16H20N4O2S2 |
|---|---|
| Molecular Weight | 364.10 g/mol |
| LogP | 3.08548 |
| Topological Polar Surface Area | 88.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 364.10278 |
| Heavy Atoms | 24 |
| Complexity | 644.0125 |
Chemical Identifiers
| CAS Number | 433952-67-1 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC(CSC2=NC(=CC(=N2)C)C)C(=O)O)C |
Product Overview
IFLab1_004709 (CAS 433952-67-1), with molecular formula C16H20N4O2S2 and molecular weight 364.10 g/mol. IUPAC: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]propanoic acid.
Chemical Property Profile of IFLab1_004709
Property Insights of IFLab1_004709
The XLogP value of 3.08548 indicates that IFLab1_004709 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.86 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004709. Following Lipinski's Rule of Five, IFLab1_004709 has 1 hydrogen bond donor(s) and 7 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 IFLab1_004709?
The CAS number of IFLab1_004709 is 433952-67-1.
What is the molecular formula of IFLab1_004709?
The molecular formula of IFLab1_004709 is C16H20N4O2S2.
What is the molecular weight of IFLab1_004709?
The molecular weight of IFLab1_004709 is 364.10 g/mol.
Where can I buy IFLab1_004709?
You can request a quote for IFLab1_004709 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004709?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004709 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.