A3452/0146610
TL;DR: A3452/0146610 (CAS 696639-52-8) is a chemical compound with molecular formula C17H20N6O2S and molecular weight 372.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: A3452/0146610, N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide, Acetamide, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2-[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]-, N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-((5-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C17H20N6O2S |
|---|---|
| Molecular Weight | 372.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.13684 |
| Heavy Atoms | 26 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 696639-52-8 |
|---|---|
| SMILES | CCC1=NC(=NN1)SCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C |
| InChIKey | UUDPOWMBSZYXRX-UHFFFAOYSA-N |
Product Overview
A3452/0146610 (CAS 696639-52-8), with molecular formula C17H20N6O2S and molecular weight 372.14 g/mol. IUPAC: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of A3452/0146610
Property Insights of A3452/0146610
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3452/0146610. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for A3452/0146610. Following Lipinski's Rule of Five, A3452/0146610 has 2 hydrogen bond donor(s) and 6 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 A3452/0146610?
The CAS number of A3452/0146610 is 696639-52-8.
What is the molecular formula of A3452/0146610?
The molecular formula of A3452/0146610 is C17H20N6O2S.
What is the molecular weight of A3452/0146610?
The molecular weight of A3452/0146610 is 372.14 g/mol.
Where can I buy A3452/0146610?
You can request a quote for A3452/0146610 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3452/0146610?
Yes, KEHONG BIO provides custom synthesis services for A3452/0146610 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.