2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
TL;DR: 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide (CAS 768291-13-0) is a chemical compound with molecular formula C18H18N6O4S and molecular weight 414.11 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-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
Also Known As: 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide, 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide, 2-(1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-7-YL)-N-(6-ETHOXY-1,3-BENZOTHIAZOL-2-YL)ACETAMIDE
| Molecular Formula | C18H18N6O4S |
|---|---|
| Molecular Weight | 414.11 g/mol |
| LogP | 1.0808 |
| Topological Polar Surface Area | 113.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.11102 |
| Heavy Atoms | 29 |
| Complexity | 1362.6827 |
Chemical Identifiers
| CAS Number | 768291-13-0 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C |
Product Overview
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide (CAS 768291-13-0), with molecular formula C18H18N6O4S and molecular weight 414.11 g/mol. IUPAC: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide.
Chemical Property Profile of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
Property Insights of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
The XLogP value of 1.0808 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-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide. The TPSA of 113.04 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-(6-ethoxy-1,3-benzothiazol-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-(6-ethoxy-1,3-benzothiazol-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-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide?
The CAS number of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide is 768291-13-0.
What is the molecular formula of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide?
The molecular formula of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide is C18H18N6O4S.
What is the molecular weight of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide?
The molecular weight of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide is 414.11 g/mol.
Where can I buy 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(6-ethoxy-1,3-benzothiazol-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-(6-ethoxy-1,3-benzothiazol-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-(6-ethoxy-1,3-benzothiazol-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-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.