AB01209957-01
TL;DR: AB01209957-01 (CAS 347910-06-9) is a chemical compound with molecular formula C16H14N6O3S2 and molecular weight 402.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]acetamide
Also Known As: AB01209957-01, AB01209957-03, (4-Methyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid [1-(5-nitro-thiophen-2-yl)-meth-(E)-ylidene]-hydrazide, (E)-2-((4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((5-nitrothiophen-2-yl)methylene)acetohydrazide, 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]acetamide
| Molecular Formula | C16H14N6O3S2 |
|---|---|
| Molecular Weight | 402.06 g/mol |
| LogP | 2.6942 |
| Topological Polar Surface Area | 115.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 402.0569 |
| Heavy Atoms | 27 |
| Complexity | 983.2194 |
Chemical Identifiers
| CAS Number | 347910-06-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N/N=C/C2=CC=C(S2)[N+](=O)[O-])C3=CC=CC=C3 |
Product Overview
AB01209957-01 (CAS 347910-06-9), with molecular formula C16H14N6O3S2 and molecular weight 402.06 g/mol. IUPAC: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]acetamide.
Chemical Property Profile of AB01209957-01
Property Insights of AB01209957-01
The XLogP value of 2.6942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01209957-01. The TPSA of 115.31 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01209957-01. Following Lipinski's Rule of Five, AB01209957-01 has 1 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 AB01209957-01?
The CAS number of AB01209957-01 is 347910-06-9.
What is the molecular formula of AB01209957-01?
The molecular formula of AB01209957-01 is C16H14N6O3S2.
What is the molecular weight of AB01209957-01?
The molecular weight of AB01209957-01 is 402.06 g/mol.
Where can I buy AB01209957-01?
You can request a quote for AB01209957-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01209957-01?
Yes, KEHONG BIO provides custom synthesis services for AB01209957-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.