![2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]acetamide structure](/static/products/7012/701231-71-2.webp)
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]acetamide
TL;DR: 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]acetamide (CAS 701231-71-2) is a chemical compound with molecular formula C19H19N7O3S and molecular weight 425.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]acetamide
Also Known As: 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]acetamide, 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)acetamide, 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)acetamide, 2-(1,3-dimethyl-2,6-dioxo(1,3,7-trihydropurin-7-yl))-N-[5-(2-phenylethyl)(1,3, 4-thiadiazol-2-yl)]acetamide, 2-(1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-7-YL)-N-[5-(2-PHENYLETHYL)-1,3,4-THIADIAZOL-2-YL]ACETAMIDE
| Molecular Formula | C19H19N7O3S |
|---|---|
| Molecular Weight | 425.13 g/mol |
| LogP | 0.7091 |
| Topological Polar Surface Area | 116.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.127 |
| Heavy Atoms | 30 |
| Complexity | 1333.9142 |
Chemical Identifiers
| CAS Number | 701231-71-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=NN=C(S3)CCC4=CC=CC=C4 |
Product Overview
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]acetamide (CAS 701231-71-2), with molecular formula C19H19N7O3S and molecular weight 425.13 g/mol. IUPAC: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]acetamide.
Chemical Property Profile of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]acetamide
Property Insights of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]acetamide
The XLogP value of 0.7091 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]acetamide. The TPSA of 116.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]acetamide. Following Lipinski's Rule of Five, 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]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-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The CAS number of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]acetamide is 701231-71-2.
What is the molecular formula of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The molecular formula of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]acetamide is C19H19N7O3S.
What is the molecular weight of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The molecular weight of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]acetamide is 425.13 g/mol.
Where can I buy 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]acetamide?
You can request a quote for 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.