1-(1,3-Benzodioxol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
TL;DR: 1-(1,3-Benzodioxol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone (CAS 315677-07-7) is a chemical compound with molecular formula C16H12N4O3S and molecular weight 340.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
Also Known As: ChemDiv2_000717, AB00685342-01, AF-399/15128280, F0863-0015, 1-(1,3-benzodioxol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
| Molecular Formula | C16H12N4O3S |
|---|---|
| Molecular Weight | 340.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.06302 |
| Heavy Atoms | 24 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 315677-07-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NN=NN3C4=CC=CC=C4 |
| InChIKey | UDAVSGPRVGFUCQ-UHFFFAOYSA-N |
Product Overview
1-(1,3-Benzodioxol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone (CAS 315677-07-7), with molecular formula C16H12N4O3S and molecular weight 340.06 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
Property Insights of 1-(1,3-Benzodioxol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
The XLogP value of 3.3 indicates that 1-(1,3-Benzodioxol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-Benzodioxol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone 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 1-(1,3-Benzodioxol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
The CAS number of 1-(1,3-Benzodioxol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone is 315677-07-7.
What is the molecular formula of 1-(1,3-Benzodioxol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
The molecular formula of 1-(1,3-Benzodioxol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone is C16H12N4O3S.
What is the molecular weight of 1-(1,3-Benzodioxol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
The molecular weight of 1-(1,3-Benzodioxol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone is 340.06 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
You can request a quote for 1-(1,3-Benzodioxol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Benzodioxol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.