2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(6-nitro-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-nitro-1,3-benzothiazol-2-yl)acetamide (CAS 349133-07-9) is a chemical compound with molecular formula C16H13N7O5S and molecular weight 415.07 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-nitro-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-nitro-1,3-benzothiazol-2-yl)acetamide, 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide, 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(6-nitrobenzothiazol-2-yl)acetamide, 2-(1,3-dimethyl-2,6-dioxo(1,3,7-trihydropurin-7-yl))-N-(6-nitrobenzothiazol-2- yl)acetamide, 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[(2E)-6-nitro-1,3-benzothiazol-2(3H)-ylidene]acetamide
| Molecular Formula | C16H13N7O5S |
|---|---|
| Molecular Weight | 415.07 g/mol |
| LogP | 0.5903 |
| Topological Polar Surface Area | 146.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.0699 |
| Heavy Atoms | 29 |
| Complexity | 1427.4626 |
Chemical Identifiers
| CAS Number | 349133-07-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-] |
Product Overview
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide (CAS 349133-07-9), with molecular formula C16H13N7O5S and molecular weight 415.07 g/mol. IUPAC: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-nitro-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-nitro-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-nitro-1,3-benzothiazol-2-yl)acetamide
The XLogP value of 0.5903 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-nitro-1,3-benzothiazol-2-yl)acetamide. The TPSA of 146.95 Ų indicates high polarity, suggesting 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide has 1 hydrogen bond donor(s) and 8 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-nitro-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-nitro-1,3-benzothiazol-2-yl)acetamide is 349133-07-9.
What is the molecular formula of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(6-nitro-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-nitro-1,3-benzothiazol-2-yl)acetamide is C16H13N7O5S.
What is the molecular weight of 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(6-nitro-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-nitro-1,3-benzothiazol-2-yl)acetamide is 415.07 g/mol.
Where can I buy 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(6-nitro-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-nitro-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-nitro-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-nitro-1,3-benzothiazol-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.