EINECS 288-606-3
TL;DR: EINECS 288-606-3 (CAS 85828-79-1) is a chemical compound with molecular formula C16H18N4O5S and molecular weight 378.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoic acid
Also Known As: EINECS 288-606-3, BAS 00549537, 4-((4-(N-(4,6-Dimethylpyrimidin-2-yl)sulfamoyl)phenyl)amino)-4-oxobutanoic acid, AE-641/30200014, 4-((4-(((4,6-Dimethyl-2-pyrimidinyl)amino)sulphonyl)phenyl)amino)-4-oxobutyric acid
| Molecular Formula | C16H18N4O5S |
|---|---|
| Molecular Weight | 378.10 g/mol |
| LogP | 1.69754 |
| Topological Polar Surface Area | 138.35 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 378.0998 |
| Heavy Atoms | 26 |
| Complexity | 905.9063 |
Chemical Identifiers
| CAS Number | 85828-79-1 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)O)C |
Product Overview
EINECS 288-606-3 (CAS 85828-79-1), with molecular formula C16H18N4O5S and molecular weight 378.10 g/mol. IUPAC: 4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoic acid.
Chemical Property Profile of EINECS 288-606-3
Property Insights of EINECS 288-606-3
The XLogP value of 1.69754 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 288-606-3. The TPSA of 138.35 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 288-606-3. Following Lipinski's Rule of Five, EINECS 288-606-3 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 EINECS 288-606-3?
The CAS number of EINECS 288-606-3 is 85828-79-1.
What is the molecular formula of EINECS 288-606-3?
The molecular formula of EINECS 288-606-3 is C16H18N4O5S.
What is the molecular weight of EINECS 288-606-3?
The molecular weight of EINECS 288-606-3 is 378.10 g/mol.
Where can I buy EINECS 288-606-3?
You can request a quote for EINECS 288-606-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 288-606-3?
Yes, KEHONG BIO provides custom synthesis services for EINECS 288-606-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.