![2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-N-(pyrimidin-2-yl)acetamide structure](/static/products/447/447454-73-1.png)
2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-N-(pyrimidin-2-yl)acetamide
TL;DR: 2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-N-(pyrimidin-2-yl)acetamide (CAS 447454-73-1) is a chemical compound with molecular formula C13H11N7OS and molecular weight 313.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-phenyltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylacetamide
Also Known As: BAS 04933494, 2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-N-(pyrimidin-2-yl)acetamide, A2698/0114817, 2-(1-phenyltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylacetamide, 2-((1-phenyl-1H-tetrazol-5-yl)thio)-N-(pyrimidin-2-yl)acetamide
| Molecular Formula | C13H11N7OS |
|---|---|
| Molecular Weight | 313.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.0746 |
| Heavy Atoms | 22 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 447454-73-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=NC=CC=N3 |
| InChIKey | NXLFGADEJHTAEO-UHFFFAOYSA-N |
Product Overview
2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-N-(pyrimidin-2-yl)acetamide (CAS 447454-73-1), with molecular formula C13H11N7OS and molecular weight 313.07 g/mol. IUPAC: 2-(1-phenyltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylacetamide.
Chemical Property Profile of 2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-N-(pyrimidin-2-yl)acetamide
Property Insights of 2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-N-(pyrimidin-2-yl)acetamide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-N-(pyrimidin-2-yl)acetamide. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-N-(pyrimidin-2-yl)acetamide. Following Lipinski's Rule of Five, 2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-N-(pyrimidin-2-yl)acetamide has 1 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 2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-N-(pyrimidin-2-yl)acetamide?
The CAS number of 2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-N-(pyrimidin-2-yl)acetamide is 447454-73-1.
What is the molecular formula of 2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-N-(pyrimidin-2-yl)acetamide?
The molecular formula of 2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-N-(pyrimidin-2-yl)acetamide is C13H11N7OS.
What is the molecular weight of 2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-N-(pyrimidin-2-yl)acetamide?
The molecular weight of 2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-N-(pyrimidin-2-yl)acetamide is 313.07 g/mol.
Where can I buy 2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-N-(pyrimidin-2-yl)acetamide?
You can request a quote for 2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-N-(pyrimidin-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-N-(pyrimidin-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-N-(pyrimidin-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.