(3-Amino-1,2,4-triazol-4-yl)-(3,5-dimethoxyphenyl)methanone
TL;DR: (3-Amino-1,2,4-triazol-4-yl)-(3,5-dimethoxyphenyl)methanone (CAS 578753-30-7) is a chemical compound with molecular formula C11H12N4O3 and molecular weight 248.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-amino-1,2,4-triazol-4-yl)-(3,5-dimethoxyphenyl)methanone
Also Known As: KSC-11-206-1, (3-amino-1,2,4-triazol-4-yl)-(3,5-dimethoxyphenyl)methanone, (3-amino-4H-1,2,4-triazol-4-yl)(3,5-dimethoxyphenyl)methanone, (3-Amino-[1,2,4]triazol-4-yl)-(3,5-dimethoxy-phenyl)-methanone, (3-azanyl-1,2,4-triazol-4-yl)-(3,5-dimethoxyphenyl)methanone
| Molecular Formula | C11H12N4O3 |
|---|---|
| Molecular Weight | 248.09 g/mol |
| LogP | 0.566 |
| Topological Polar Surface Area | 92.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.09094 |
| Heavy Atoms | 18 |
| Complexity | 557.16736 |
Chemical Identifiers
| CAS Number | 578753-30-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)C(=O)N2C=NN=C2N)OC |
Product Overview
(3-Amino-1,2,4-triazol-4-yl)-(3,5-dimethoxyphenyl)methanone (CAS 578753-30-7), with molecular formula C11H12N4O3 and molecular weight 248.09 g/mol. IUPAC: (3-amino-1,2,4-triazol-4-yl)-(3,5-dimethoxyphenyl)methanone.
Chemical Property Profile of (3-Amino-1,2,4-triazol-4-yl)-(3,5-dimethoxyphenyl)methanone
Property Insights of (3-Amino-1,2,4-triazol-4-yl)-(3,5-dimethoxyphenyl)methanone
The XLogP value of 0.566 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Amino-1,2,4-triazol-4-yl)-(3,5-dimethoxyphenyl)methanone. The TPSA of 92.26 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Amino-1,2,4-triazol-4-yl)-(3,5-dimethoxyphenyl)methanone. Following Lipinski's Rule of Five, (3-Amino-1,2,4-triazol-4-yl)-(3,5-dimethoxyphenyl)methanone has 1 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 (3-Amino-1,2,4-triazol-4-yl)-(3,5-dimethoxyphenyl)methanone?
The CAS number of (3-Amino-1,2,4-triazol-4-yl)-(3,5-dimethoxyphenyl)methanone is 578753-30-7.
What is the molecular formula of (3-Amino-1,2,4-triazol-4-yl)-(3,5-dimethoxyphenyl)methanone?
The molecular formula of (3-Amino-1,2,4-triazol-4-yl)-(3,5-dimethoxyphenyl)methanone is C11H12N4O3.
What is the molecular weight of (3-Amino-1,2,4-triazol-4-yl)-(3,5-dimethoxyphenyl)methanone?
The molecular weight of (3-Amino-1,2,4-triazol-4-yl)-(3,5-dimethoxyphenyl)methanone is 248.09 g/mol.
Where can I buy (3-Amino-1,2,4-triazol-4-yl)-(3,5-dimethoxyphenyl)methanone?
You can request a quote for (3-Amino-1,2,4-triazol-4-yl)-(3,5-dimethoxyphenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Amino-1,2,4-triazol-4-yl)-(3,5-dimethoxyphenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3-Amino-1,2,4-triazol-4-yl)-(3,5-dimethoxyphenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.