![3-[2-(1-Methyltetrazol-5-yl)sulfanylacetyl]chromen-2-one structure](/static/products/847/847851-06-3.png)
3-[2-(1-Methyltetrazol-5-yl)sulfanylacetyl]chromen-2-one
TL;DR: 3-[2-(1-Methyltetrazol-5-yl)sulfanylacetyl]chromen-2-one (CAS 847851-06-3) is a chemical compound with molecular formula C13H10N4O3S and molecular weight 302.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]chromen-2-one
Also Known As: BAS 10851592, 3-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]chromen-2-one, 3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetyl}-2H-chromen-2-one, 3-(2-((1-methyl-1H-tetrazol-5-yl)thio)acetyl)-2H-chromen-2-one, 3-[2-(1-Methyl-1H-tetrazol-5-ylsulfanyl)-acetyl]-chromen-2-one
| Molecular Formula | C13H10N4O3S |
|---|---|
| Molecular Weight | 302.05 g/mol |
| LogP | 1.2915 |
| Topological Polar Surface Area | 90.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.04736 |
| Heavy Atoms | 21 |
| Complexity | 870.97894 |
Chemical Identifiers
| CAS Number | 847851-06-3 |
|---|---|
| SMILES | CN1C(=NN=N1)SCC(=O)C2=CC3=CC=CC=C3OC2=O |
Product Overview
3-[2-(1-Methyltetrazol-5-yl)sulfanylacetyl]chromen-2-one (CAS 847851-06-3), with molecular formula C13H10N4O3S and molecular weight 302.05 g/mol. IUPAC: 3-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]chromen-2-one.
Chemical Property Profile of 3-[2-(1-Methyltetrazol-5-yl)sulfanylacetyl]chromen-2-one
Property Insights of 3-[2-(1-Methyltetrazol-5-yl)sulfanylacetyl]chromen-2-one
The XLogP value of 1.2915 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-(1-Methyltetrazol-5-yl)sulfanylacetyl]chromen-2-one. The TPSA of 90.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(1-Methyltetrazol-5-yl)sulfanylacetyl]chromen-2-one. Following Lipinski's Rule of Five, 3-[2-(1-Methyltetrazol-5-yl)sulfanylacetyl]chromen-2-one has 0 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 3-[2-(1-Methyltetrazol-5-yl)sulfanylacetyl]chromen-2-one?
The CAS number of 3-[2-(1-Methyltetrazol-5-yl)sulfanylacetyl]chromen-2-one is 847851-06-3.
What is the molecular formula of 3-[2-(1-Methyltetrazol-5-yl)sulfanylacetyl]chromen-2-one?
The molecular formula of 3-[2-(1-Methyltetrazol-5-yl)sulfanylacetyl]chromen-2-one is C13H10N4O3S.
What is the molecular weight of 3-[2-(1-Methyltetrazol-5-yl)sulfanylacetyl]chromen-2-one?
The molecular weight of 3-[2-(1-Methyltetrazol-5-yl)sulfanylacetyl]chromen-2-one is 302.05 g/mol.
Where can I buy 3-[2-(1-Methyltetrazol-5-yl)sulfanylacetyl]chromen-2-one?
You can request a quote for 3-[2-(1-Methyltetrazol-5-yl)sulfanylacetyl]chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(1-Methyltetrazol-5-yl)sulfanylacetyl]chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(1-Methyltetrazol-5-yl)sulfanylacetyl]chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.