Acetic acid, ((6-(4-morpholinyl)-4-pyrimidinyl)thio)-, methyl ester
TL;DR: Acetic acid, ((6-(4-morpholinyl)-4-pyrimidinyl)thio)-, methyl ester (CAS 95546-87-5) is a chemical compound with molecular formula C11H15N3O3S and molecular weight 269.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetate
Also Known As: Methyl (6-morpholinopyrimidin-4-ylthio)acetate, Acetic acid, ((6-(4-morpholinyl)-4-pyrimidinyl)thio)-, methyl ester, ((6-(4-Morpholinyl)-4-pyrimidinyl)thio)acetic acid methyl ester, methyl 2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetate, Methyl {[6-(morpholin-4-yl)pyrimidin-4-yl]sulfanyl}acetate
| Molecular Formula | C11H15N3O3S |
|---|---|
| Molecular Weight | 269.08 g/mol |
| LogP | 0.5783 |
| Topological Polar Surface Area | 64.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.0834 |
| Heavy Atoms | 18 |
| Complexity | 410.27484 |
Chemical Identifiers
| CAS Number | 95546-87-5 |
|---|---|
| SMILES | COC(=O)CSC1=NC=NC(=C1)N2CCOCC2 |
Product Overview
Acetic acid, ((6-(4-morpholinyl)-4-pyrimidinyl)thio)-, methyl ester (CAS 95546-87-5), with molecular formula C11H15N3O3S and molecular weight 269.08 g/mol. IUPAC: methyl 2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetate.
Chemical Property Profile of Acetic acid, ((6-(4-morpholinyl)-4-pyrimidinyl)thio)-, methyl ester
Property Insights of Acetic acid, ((6-(4-morpholinyl)-4-pyrimidinyl)thio)-, methyl ester
The XLogP value of 0.5783 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, ((6-(4-morpholinyl)-4-pyrimidinyl)thio)-, methyl ester. The TPSA of 64.55 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, ((6-(4-morpholinyl)-4-pyrimidinyl)thio)-, methyl ester. Following Lipinski's Rule of Five, Acetic acid, ((6-(4-morpholinyl)-4-pyrimidinyl)thio)-, methyl ester has 0 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 Acetic acid, ((6-(4-morpholinyl)-4-pyrimidinyl)thio)-, methyl ester?
The CAS number of Acetic acid, ((6-(4-morpholinyl)-4-pyrimidinyl)thio)-, methyl ester is 95546-87-5.
What is the molecular formula of Acetic acid, ((6-(4-morpholinyl)-4-pyrimidinyl)thio)-, methyl ester?
The molecular formula of Acetic acid, ((6-(4-morpholinyl)-4-pyrimidinyl)thio)-, methyl ester is C11H15N3O3S.
What is the molecular weight of Acetic acid, ((6-(4-morpholinyl)-4-pyrimidinyl)thio)-, methyl ester?
The molecular weight of Acetic acid, ((6-(4-morpholinyl)-4-pyrimidinyl)thio)-, methyl ester is 269.08 g/mol.
Where can I buy Acetic acid, ((6-(4-morpholinyl)-4-pyrimidinyl)thio)-, methyl ester?
You can request a quote for Acetic acid, ((6-(4-morpholinyl)-4-pyrimidinyl)thio)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, ((6-(4-morpholinyl)-4-pyrimidinyl)thio)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, ((6-(4-morpholinyl)-4-pyrimidinyl)thio)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.