2-((1-allyl-1H-tetrazol-5-yl)thio)-1-(4-methoxyphenyl)ethanone
TL;DR: 2-((1-allyl-1H-tetrazol-5-yl)thio)-1-(4-methoxyphenyl)ethanone (CAS 397266-77-2) is a chemical compound with molecular formula C13H14N4O2S and molecular weight 290.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylethanone
Also Known As: IFLab1_003579, IDI1_009686, F0784-0285, 1-(4-methoxyphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylethanone, 2-((1-allyl-1H-tetrazol-5-yl)thio)-1-(4-methoxyphenyl)ethanone
| Molecular Formula | C13H14N4O2S |
|---|---|
| Molecular Weight | 290.08 g/mol |
| LogP | 1.8427 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 290.08374 |
| Heavy Atoms | 20 |
| Complexity | 594.6736 |
Chemical Identifiers
| CAS Number | 397266-77-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CSC2=NN=NN2CC=C |
Product Overview
2-((1-allyl-1H-tetrazol-5-yl)thio)-1-(4-methoxyphenyl)ethanone (CAS 397266-77-2), with molecular formula C13H14N4O2S and molecular weight 290.08 g/mol. IUPAC: 1-(4-methoxyphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylethanone.
Chemical Property Profile of 2-((1-allyl-1H-tetrazol-5-yl)thio)-1-(4-methoxyphenyl)ethanone
Property Insights of 2-((1-allyl-1H-tetrazol-5-yl)thio)-1-(4-methoxyphenyl)ethanone
The XLogP value of 1.8427 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((1-allyl-1H-tetrazol-5-yl)thio)-1-(4-methoxyphenyl)ethanone. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1-allyl-1H-tetrazol-5-yl)thio)-1-(4-methoxyphenyl)ethanone. Following Lipinski's Rule of Five, 2-((1-allyl-1H-tetrazol-5-yl)thio)-1-(4-methoxyphenyl)ethanone 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 2-((1-allyl-1H-tetrazol-5-yl)thio)-1-(4-methoxyphenyl)ethanone?
The CAS number of 2-((1-allyl-1H-tetrazol-5-yl)thio)-1-(4-methoxyphenyl)ethanone is 397266-77-2.
What is the molecular formula of 2-((1-allyl-1H-tetrazol-5-yl)thio)-1-(4-methoxyphenyl)ethanone?
The molecular formula of 2-((1-allyl-1H-tetrazol-5-yl)thio)-1-(4-methoxyphenyl)ethanone is C13H14N4O2S.
What is the molecular weight of 2-((1-allyl-1H-tetrazol-5-yl)thio)-1-(4-methoxyphenyl)ethanone?
The molecular weight of 2-((1-allyl-1H-tetrazol-5-yl)thio)-1-(4-methoxyphenyl)ethanone is 290.08 g/mol.
Where can I buy 2-((1-allyl-1H-tetrazol-5-yl)thio)-1-(4-methoxyphenyl)ethanone?
You can request a quote for 2-((1-allyl-1H-tetrazol-5-yl)thio)-1-(4-methoxyphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((1-allyl-1H-tetrazol-5-yl)thio)-1-(4-methoxyphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-allyl-1H-tetrazol-5-yl)thio)-1-(4-methoxyphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.