2-((4-Allyl-5-(3-pyridinyl)4H-1,2,4-triazol-3-YL)thio)N-(3,5-DI-meo-PH)acetamide
TL;DR: 2-((4-Allyl-5-(3-pyridinyl)4H-1,2,4-triazol-3-YL)thio)N-(3,5-DI-meo-PH)acetamide (CAS 763114-72-3) is a chemical compound with molecular formula C20H21N5O3S and molecular weight 411.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,5-dimethoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(3,5-dimethoxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-((4-Allyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethoxyphenyl)acetamide, 2-((4-Allyl-5-(3-pyridinyl)4H-1,2,4-triazol-3-YL)thio)N-(3,5-DI-meo-PH)acetamide, 2-{[4-allyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)acetamide, 657-709-9
| Molecular Formula | C20H21N5O3S |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | 3.2741 |
| Topological Polar Surface Area | 91.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 411.1365 |
| Heavy Atoms | 29 |
| Complexity | 968.7867 |
Chemical Identifiers
| CAS Number | 763114-72-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CN=CC=C3)OC |
Product Overview
2-((4-Allyl-5-(3-pyridinyl)4H-1,2,4-triazol-3-YL)thio)N-(3,5-DI-meo-PH)acetamide (CAS 763114-72-3), with molecular formula C20H21N5O3S and molecular weight 411.14 g/mol. IUPAC: N-(3,5-dimethoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of 2-((4-Allyl-5-(3-pyridinyl)4H-1,2,4-triazol-3-YL)thio)N-(3,5-DI-meo-PH)acetamide
Property Insights of 2-((4-Allyl-5-(3-pyridinyl)4H-1,2,4-triazol-3-YL)thio)N-(3,5-DI-meo-PH)acetamide
The XLogP value of 3.2741 indicates that 2-((4-Allyl-5-(3-pyridinyl)4H-1,2,4-triazol-3-YL)thio)N-(3,5-DI-meo-PH)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Allyl-5-(3-pyridinyl)4H-1,2,4-triazol-3-YL)thio)N-(3,5-DI-meo-PH)acetamide. Following Lipinski's Rule of Five, 2-((4-Allyl-5-(3-pyridinyl)4H-1,2,4-triazol-3-YL)thio)N-(3,5-DI-meo-PH)acetamide 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 2-((4-Allyl-5-(3-pyridinyl)4H-1,2,4-triazol-3-YL)thio)N-(3,5-DI-meo-PH)acetamide?
The CAS number of 2-((4-Allyl-5-(3-pyridinyl)4H-1,2,4-triazol-3-YL)thio)N-(3,5-DI-meo-PH)acetamide is 763114-72-3.
What is the molecular formula of 2-((4-Allyl-5-(3-pyridinyl)4H-1,2,4-triazol-3-YL)thio)N-(3,5-DI-meo-PH)acetamide?
The molecular formula of 2-((4-Allyl-5-(3-pyridinyl)4H-1,2,4-triazol-3-YL)thio)N-(3,5-DI-meo-PH)acetamide is C20H21N5O3S.
What is the molecular weight of 2-((4-Allyl-5-(3-pyridinyl)4H-1,2,4-triazol-3-YL)thio)N-(3,5-DI-meo-PH)acetamide?
The molecular weight of 2-((4-Allyl-5-(3-pyridinyl)4H-1,2,4-triazol-3-YL)thio)N-(3,5-DI-meo-PH)acetamide is 411.14 g/mol.
Where can I buy 2-((4-Allyl-5-(3-pyridinyl)4H-1,2,4-triazol-3-YL)thio)N-(3,5-DI-meo-PH)acetamide?
You can request a quote for 2-((4-Allyl-5-(3-pyridinyl)4H-1,2,4-triazol-3-YL)thio)N-(3,5-DI-meo-PH)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Allyl-5-(3-pyridinyl)4H-1,2,4-triazol-3-YL)thio)N-(3,5-DI-meo-PH)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Allyl-5-(3-pyridinyl)4H-1,2,4-triazol-3-YL)thio)N-(3,5-DI-meo-PH)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.