![3-Methyl-5-[2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-acetyl]-3H-benzooxazol-2-one structure](/static/products/332/332860-78-3.png)
3-Methyl-5-[2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-acetyl]-3H-benzooxazol-2-one
TL;DR: 3-Methyl-5-[2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-acetyl]-3H-benzooxazol-2-one (CAS 332860-78-3) is a chemical compound with molecular formula C17H13N5O3S and molecular weight 367.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]-1,3-benzoxazol-2-one
Also Known As: BAS 01848008, 3-Methyl-5-[2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-acetyl]-3H-benzooxazol-2-one, 3-methyl-5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetyl}-1,3-benzoxazol-2(3H)-one, 3-methyl-5-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]-1,3-benzoxazol-2-one, 3-methyl-5-(2-((1-phenyl-1H-tetrazol-5-yl)thio)acetyl)benzo[d]oxazol-2(3H)-one
| Molecular Formula | C17H13N5O3S |
|---|---|
| Molecular Weight | 367.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.0739 |
| Heavy Atoms | 26 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 332860-78-3 |
|---|---|
| SMILES | CN1C2=C(C=CC(=C2)C(=O)CSC3=NN=NN3C4=CC=CC=C4)OC1=O |
| InChIKey | OAYCKVDVLHIMJJ-UHFFFAOYSA-N |
Product Overview
3-Methyl-5-[2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-acetyl]-3H-benzooxazol-2-one (CAS 332860-78-3), with molecular formula C17H13N5O3S and molecular weight 367.07 g/mol. IUPAC: 3-methyl-5-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]-1,3-benzoxazol-2-one.
Chemical Property Profile of 3-Methyl-5-[2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-acetyl]-3H-benzooxazol-2-one
Property Insights of 3-Methyl-5-[2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-acetyl]-3H-benzooxazol-2-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-5-[2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-acetyl]-3H-benzooxazol-2-one. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-5-[2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-acetyl]-3H-benzooxazol-2-one. Following Lipinski's Rule of Five, 3-Methyl-5-[2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-acetyl]-3H-benzooxazol-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-Methyl-5-[2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-acetyl]-3H-benzooxazol-2-one?
The CAS number of 3-Methyl-5-[2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-acetyl]-3H-benzooxazol-2-one is 332860-78-3.
What is the molecular formula of 3-Methyl-5-[2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-acetyl]-3H-benzooxazol-2-one?
The molecular formula of 3-Methyl-5-[2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-acetyl]-3H-benzooxazol-2-one is C17H13N5O3S.
What is the molecular weight of 3-Methyl-5-[2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-acetyl]-3H-benzooxazol-2-one?
The molecular weight of 3-Methyl-5-[2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-acetyl]-3H-benzooxazol-2-one is 367.07 g/mol.
Where can I buy 3-Methyl-5-[2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-acetyl]-3H-benzooxazol-2-one?
You can request a quote for 3-Methyl-5-[2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-acetyl]-3H-benzooxazol-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-Methyl-5-[2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-acetyl]-3H-benzooxazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-5-[2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-acetyl]-3H-benzooxazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.