2-(1-methyltetrazol-5-yl)sulfanyl-N-phenacylacetamide
TL;DR: 2-(1-methyltetrazol-5-yl)sulfanyl-N-phenacylacetamide (CAS 333352-35-5) is a chemical compound with molecular formula C12H13N5O2S and molecular weight 291.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methyltetrazol-5-yl)sulfanyl-N-phenacylacetamide
Also Known As: BIM-0013679.P001, 2-(1-methyltetrazol-5-yl)sulfanyl-N-phenacylacetamide, 2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-N-(2-oxo-2-phenylethyl)acetamide, 2-((1-methyl-1H-tetrazol-5-yl)thio)-N-(2-oxo-2-phenylethyl)acetamide
| Molecular Formula | C12H13N5O2S |
|---|---|
| Molecular Weight | 291.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 291.079 |
| Heavy Atoms | 20 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 333352-35-5 |
|---|---|
| SMILES | CN1C(=NN=N1)SCC(=O)NCC(=O)C2=CC=CC=C2 |
| InChIKey | CPCXQOHPVRVBDC-UHFFFAOYSA-N |
Product Overview
2-(1-methyltetrazol-5-yl)sulfanyl-N-phenacylacetamide (CAS 333352-35-5), with molecular formula C12H13N5O2S and molecular weight 291.08 g/mol. IUPAC: 2-(1-methyltetrazol-5-yl)sulfanyl-N-phenacylacetamide.
Chemical Property Profile of 2-(1-methyltetrazol-5-yl)sulfanyl-N-phenacylacetamide
Property Insights of 2-(1-methyltetrazol-5-yl)sulfanyl-N-phenacylacetamide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-methyltetrazol-5-yl)sulfanyl-N-phenacylacetamide. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-methyltetrazol-5-yl)sulfanyl-N-phenacylacetamide. Following Lipinski's Rule of Five, 2-(1-methyltetrazol-5-yl)sulfanyl-N-phenacylacetamide 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 2-(1-methyltetrazol-5-yl)sulfanyl-N-phenacylacetamide?
The CAS number of 2-(1-methyltetrazol-5-yl)sulfanyl-N-phenacylacetamide is 333352-35-5.
What is the molecular formula of 2-(1-methyltetrazol-5-yl)sulfanyl-N-phenacylacetamide?
The molecular formula of 2-(1-methyltetrazol-5-yl)sulfanyl-N-phenacylacetamide is C12H13N5O2S.
What is the molecular weight of 2-(1-methyltetrazol-5-yl)sulfanyl-N-phenacylacetamide?
The molecular weight of 2-(1-methyltetrazol-5-yl)sulfanyl-N-phenacylacetamide is 291.08 g/mol.
Where can I buy 2-(1-methyltetrazol-5-yl)sulfanyl-N-phenacylacetamide?
You can request a quote for 2-(1-methyltetrazol-5-yl)sulfanyl-N-phenacylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-methyltetrazol-5-yl)sulfanyl-N-phenacylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-methyltetrazol-5-yl)sulfanyl-N-phenacylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.