N-(4-methyl-1,3-benzothiazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
TL;DR: N-(4-methyl-1,3-benzothiazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CAS 540513-52-8) is a chemical compound with molecular formula C17H14N6OS2 and molecular weight 382.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methyl-1,3-benzothiazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
Also Known As: N-(4-methyl-1,3-benzothiazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide, N-(4-methyl-1,3-benzothiazol-2-yl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamide, N~1~-(4-METHYL-1,3-BENZOTHIAZOL-2-YL)-2-[(1-PHENYL-1H-1,2,3,4-TETRAAZOL-5-YL)SULFANYL]ACETAMIDE
| Molecular Formula | C17H14N6OS2 |
|---|---|
| Molecular Weight | 382.07 g/mol |
| LogP | 3.31122 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.06705 |
| Heavy Atoms | 26 |
| Complexity | 1059.5084 |
Chemical Identifiers
| CAS Number | 540513-52-8 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)SC(=N2)NC(=O)CSC3=NN=NN3C4=CC=CC=C4 |
Product Overview
N-(4-methyl-1,3-benzothiazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CAS 540513-52-8), with molecular formula C17H14N6OS2 and molecular weight 382.07 g/mol. IUPAC: N-(4-methyl-1,3-benzothiazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
Chemical Property Profile of N-(4-methyl-1,3-benzothiazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
Property Insights of N-(4-methyl-1,3-benzothiazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
The XLogP value of 3.31122 indicates that N-(4-methyl-1,3-benzothiazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-methyl-1,3-benzothiazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide. Following Lipinski's Rule of Five, N-(4-methyl-1,3-benzothiazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has 1 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 N-(4-methyl-1,3-benzothiazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The CAS number of N-(4-methyl-1,3-benzothiazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is 540513-52-8.
What is the molecular formula of N-(4-methyl-1,3-benzothiazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The molecular formula of N-(4-methyl-1,3-benzothiazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is C17H14N6OS2.
What is the molecular weight of N-(4-methyl-1,3-benzothiazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The molecular weight of N-(4-methyl-1,3-benzothiazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is 382.07 g/mol.
Where can I buy N-(4-methyl-1,3-benzothiazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
You can request a quote for N-(4-methyl-1,3-benzothiazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-methyl-1,3-benzothiazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-methyl-1,3-benzothiazol-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.