Acetic acid, ((6-(4-nitrophenoxy)-4-pyrimidinyl)thio)-, ethyl ester
TL;DR: Acetic acid, ((6-(4-nitrophenoxy)-4-pyrimidinyl)thio)-, ethyl ester (CAS 124066-45-1) is a chemical compound with molecular formula C14H13N3O5S and molecular weight 335.0576 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[6-(4-nitrophenoxy)pyrimidin-4-yl]sulfanylacetate
Also Known As: Ethyl ((6-(4-nitrophenoxy)-4-pyrimidinyl)thio)acetate, Acetic acid, ((6-(4-nitrophenoxy)-4-pyrimidinyl)thio)-, ethyl ester, Acetic acid,2-[[6-(4-nitrophenoxy)-4-pyrimidinyl]thio]-, ethyl ester, Ethyl {[6-(4-nitrophenoxy)pyrimidin-4-yl]sulfanyl}acetate, ethyl 2-[6-(4-nitrophenoxy)pyrimidin-4-yl]sulfanylacetate
Technical Specifications
| Molecular Formula | C14H13N3O5S |
| Molecular Weight | 335.0576 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 335.0576 Da |
| Heavy Atoms | 23 |
| Complexity | 398.0 |
| SMILES | CCOC(=O)CSC1=NC=NC(=C1)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | ULDSULJNVTWECZ-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid, ((6-(4-nitrophenoxy)-4-pyrimidinyl)thio)-, ethyl ester
Property Insights of Acetic acid, ((6-(4-nitrophenoxy)-4-pyrimidinyl)thio)-, ethyl ester
The XLogP value of 3.0 indicates that Acetic acid, ((6-(4-nitrophenoxy)-4-pyrimidinyl)thio)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, ((6-(4-nitrophenoxy)-4-pyrimidinyl)thio)-, ethyl ester. Following Lipinski's Rule of Five, Acetic acid, ((6-(4-nitrophenoxy)-4-pyrimidinyl)thio)-, ethyl ester has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Acetic acid, ((6-(4-nitrophenoxy)-4-pyrimidinyl)thio)-, ethyl ester?
The CAS number of Acetic acid, ((6-(4-nitrophenoxy)-4-pyrimidinyl)thio)-, ethyl ester is 124066-45-1.
What is the molecular formula of Acetic acid, ((6-(4-nitrophenoxy)-4-pyrimidinyl)thio)-, ethyl ester?
The molecular formula of Acetic acid, ((6-(4-nitrophenoxy)-4-pyrimidinyl)thio)-, ethyl ester is C14H13N3O5S.
What is the molecular weight of Acetic acid, ((6-(4-nitrophenoxy)-4-pyrimidinyl)thio)-, ethyl ester?
The molecular weight of Acetic acid, ((6-(4-nitrophenoxy)-4-pyrimidinyl)thio)-, ethyl ester is 335.0576 g/mol.
Where can I buy Acetic acid, ((6-(4-nitrophenoxy)-4-pyrimidinyl)thio)-, ethyl ester?
You can request a quote for Acetic acid, ((6-(4-nitrophenoxy)-4-pyrimidinyl)thio)-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, ((6-(4-nitrophenoxy)-4-pyrimidinyl)thio)-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Acetic acid, ((6-(4-nitrophenoxy)-4-pyrimidinyl)thio)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.