Acetic acid, ((6-(dimethylamino)-4-pyrimidinyl)thio)-, methyl ester
TL;DR: Acetic acid, ((6-(dimethylamino)-4-pyrimidinyl)thio)-, methyl ester (CAS 95546-86-4) is a chemical compound with molecular formula C9H13N3O2S and molecular weight 227.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[6-(dimethylamino)pyrimidin-4-yl]sulfanylacetate
Also Known As: Methyl (6-dimethylaminopyrimidin-4-ylthio)acetate, Acetic acid, ((6-(dimethylamino)-4-pyrimidinyl)thio)-, methyl ester, ((6-(Dimethylamino)-4-pyrimidinyl)thio)acetic acid methyl ester, methyl 2-[6-(dimethylamino)pyrimidin-4-yl]sulfanylacetate, methyl 2-(6-dimethylaminopyrimidin-4-yl)sulfanylacetate
| Molecular Formula | C9H13N3O2S |
|---|---|
| Molecular Weight | 227.07 g/mol |
| LogP | 0.8077 |
| Topological Polar Surface Area | 55.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.07285 |
| Heavy Atoms | 15 |
| Complexity | 343.88428 |
Chemical Identifiers
| CAS Number | 95546-86-4 |
|---|---|
| SMILES | CN(C)C1=CC(=NC=N1)SCC(=O)OC |
Product Overview
Acetic acid, ((6-(dimethylamino)-4-pyrimidinyl)thio)-, methyl ester (CAS 95546-86-4), with molecular formula C9H13N3O2S and molecular weight 227.07 g/mol. IUPAC: methyl 2-[6-(dimethylamino)pyrimidin-4-yl]sulfanylacetate.
Chemical Property Profile of Acetic acid, ((6-(dimethylamino)-4-pyrimidinyl)thio)-, methyl ester
Property Insights of Acetic acid, ((6-(dimethylamino)-4-pyrimidinyl)thio)-, methyl ester
The XLogP value of 0.8077 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, ((6-(dimethylamino)-4-pyrimidinyl)thio)-, methyl ester. With a topological polar surface area (TPSA) of 55.32 Ų, Acetic acid, ((6-(dimethylamino)-4-pyrimidinyl)thio)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, ((6-(dimethylamino)-4-pyrimidinyl)thio)-, methyl ester has 0 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 Acetic acid, ((6-(dimethylamino)-4-pyrimidinyl)thio)-, methyl ester?
The CAS number of Acetic acid, ((6-(dimethylamino)-4-pyrimidinyl)thio)-, methyl ester is 95546-86-4.
What is the molecular formula of Acetic acid, ((6-(dimethylamino)-4-pyrimidinyl)thio)-, methyl ester?
The molecular formula of Acetic acid, ((6-(dimethylamino)-4-pyrimidinyl)thio)-, methyl ester is C9H13N3O2S.
What is the molecular weight of Acetic acid, ((6-(dimethylamino)-4-pyrimidinyl)thio)-, methyl ester?
The molecular weight of Acetic acid, ((6-(dimethylamino)-4-pyrimidinyl)thio)-, methyl ester is 227.07 g/mol.
Where can I buy Acetic acid, ((6-(dimethylamino)-4-pyrimidinyl)thio)-, methyl ester?
You can request a quote for Acetic acid, ((6-(dimethylamino)-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-(dimethylamino)-4-pyrimidinyl)thio)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, ((6-(dimethylamino)-4-pyrimidinyl)thio)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.