A3338/0141782
TL;DR: A3338/0141782 (CAS 695210-36-7) is a chemical compound with molecular formula C12H12N8O2S and molecular weight 332.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,5-dimethylphenyl)-5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]tetrazole
Also Known As: A3338/0141782, 1-(2,5-dimethylphenyl)-5-((1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)thio)-1H-tetrazole, 1-(2,5-dimethylphenyl)-5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]tetrazole, 1-(2,5-dimethylphenyl)-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)thio]-1H-tetrazole, 1-(2,5-DIMETHYLPHENYL)-1H-1,2,3,4-TETRAAZOL-5-YL (1-METHYL-3-NITRO-1H-1,2,4-TRIAZOL-5-YL) SULFIDE
| Molecular Formula | C12H12N8O2S |
|---|---|
| Molecular Weight | 332.08 g/mol |
| LogP | 1.46704 |
| Topological Polar Surface Area | 117.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.08038 |
| Heavy Atoms | 23 |
| Complexity | 887.07056 |
Chemical Identifiers
| CAS Number | 695210-36-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N2C(=NN=N2)SC3=NC(=NN3C)[N+](=O)[O-] |
Product Overview
A3338/0141782 (CAS 695210-36-7), with molecular formula C12H12N8O2S and molecular weight 332.08 g/mol. IUPAC: 1-(2,5-dimethylphenyl)-5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]tetrazole.
Chemical Property Profile of A3338/0141782
Property Insights of A3338/0141782
The XLogP value of 1.46704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3338/0141782. The TPSA of 117.45 Ų falls within the moderate polarity range, balancing permeability and solubility for A3338/0141782. Following Lipinski's Rule of Five, A3338/0141782 has 0 hydrogen bond donor(s) and 8 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 A3338/0141782?
The CAS number of A3338/0141782 is 695210-36-7.
What is the molecular formula of A3338/0141782?
The molecular formula of A3338/0141782 is C12H12N8O2S.
What is the molecular weight of A3338/0141782?
The molecular weight of A3338/0141782 is 332.08 g/mol.
Where can I buy A3338/0141782?
You can request a quote for A3338/0141782 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3338/0141782?
Yes, KEHONG BIO provides custom synthesis services for A3338/0141782 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.