Benzeneacetic acid, alpha-((4-methyl-6-(4-morpholinyl)-2-pyrimidinyl)thio)-
TL;DR: Benzeneacetic acid, alpha-((4-methyl-6-(4-morpholinyl)-2-pyrimidinyl)thio)- (CAS 87125-97-1) is a chemical compound with molecular formula C17H19N3O3S and molecular weight 345.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid
Also Known As: alpha-((4-Methyl-6-(4-morpholinyl)-2-pyrimidinyl)thio)benzeneacetic acid, Benzeneacetic acid, alpha-((4-methyl-6-(4-morpholinyl)-2-pyrimidinyl)thio)-, 2-(4-METHYL-6-MORPHOLIN-4-YL-PYRIMIDIN-2-YL)SULFANYL-2-PHENYL-ACETIC A CID, {[4-methyl-6-(morpholin-4-yl)pyrimidin-2-yl]sulfanyl}(phenyl)acetic acid, {[4-Methyl-6-(morpholin-4-yl)pyrimidin-2-yl]sulfanyl}(phenyl)acetato
| Molecular Formula | C17H19N3O3S |
|---|---|
| Molecular Weight | 345.11 g/mol |
| LogP | 2.53962 |
| Topological Polar Surface Area | 75.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.11472 |
| Heavy Atoms | 24 |
| Complexity | 705.4819 |
Chemical Identifiers
| CAS Number | 87125-97-1 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SC(C2=CC=CC=C2)C(=O)O)N3CCOCC3 |
Product Overview
Benzeneacetic acid, alpha-((4-methyl-6-(4-morpholinyl)-2-pyrimidinyl)thio)- (CAS 87125-97-1), with molecular formula C17H19N3O3S and molecular weight 345.11 g/mol. IUPAC: 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid.
Chemical Property Profile of Benzeneacetic acid, alpha-((4-methyl-6-(4-morpholinyl)-2-pyrimidinyl)thio)-
Property Insights of Benzeneacetic acid, alpha-((4-methyl-6-(4-morpholinyl)-2-pyrimidinyl)thio)-
The XLogP value of 2.53962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, alpha-((4-methyl-6-(4-morpholinyl)-2-pyrimidinyl)thio)-. The TPSA of 75.55 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, alpha-((4-methyl-6-(4-morpholinyl)-2-pyrimidinyl)thio)-. Following Lipinski's Rule of Five, Benzeneacetic acid, alpha-((4-methyl-6-(4-morpholinyl)-2-pyrimidinyl)thio)- has 1 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 Benzeneacetic acid, alpha-((4-methyl-6-(4-morpholinyl)-2-pyrimidinyl)thio)-?
The CAS number of Benzeneacetic acid, alpha-((4-methyl-6-(4-morpholinyl)-2-pyrimidinyl)thio)- is 87125-97-1.
What is the molecular formula of Benzeneacetic acid, alpha-((4-methyl-6-(4-morpholinyl)-2-pyrimidinyl)thio)-?
The molecular formula of Benzeneacetic acid, alpha-((4-methyl-6-(4-morpholinyl)-2-pyrimidinyl)thio)- is C17H19N3O3S.
What is the molecular weight of Benzeneacetic acid, alpha-((4-methyl-6-(4-morpholinyl)-2-pyrimidinyl)thio)-?
The molecular weight of Benzeneacetic acid, alpha-((4-methyl-6-(4-morpholinyl)-2-pyrimidinyl)thio)- is 345.11 g/mol.
Where can I buy Benzeneacetic acid, alpha-((4-methyl-6-(4-morpholinyl)-2-pyrimidinyl)thio)-?
You can request a quote for Benzeneacetic acid, alpha-((4-methyl-6-(4-morpholinyl)-2-pyrimidinyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, alpha-((4-methyl-6-(4-morpholinyl)-2-pyrimidinyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, alpha-((4-methyl-6-(4-morpholinyl)-2-pyrimidinyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.