![N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide structure](/static/products/7012/701240-41-7.webp)
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
TL;DR: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide (CAS 701240-41-7) is a chemical compound with molecular formula C21H26N6O5S and molecular weight 474.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
Also Known As: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide, N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide, N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetamide, N-[4-(1-AZEPANYLSULFONYL)PHENYL]-2-(1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL)ACETAMIDE, N-[4-(azaperhydroepinylsulfonyl)phenyl]-2-(1,3-dimethyl-2,6-dioxo(1,3,7-trihyd ropurin-7-yl))acetamide
| Molecular Formula | C21H26N6O5S |
|---|---|
| Molecular Weight | 474.17 g/mol |
| LogP | 0.6371 |
| Topological Polar Surface Area | 128.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.16855 |
| Heavy Atoms | 33 |
| Complexity | 1410.3268 |
Chemical Identifiers
| CAS Number | 701240-41-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4 |
Product Overview
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide (CAS 701240-41-7), with molecular formula C21H26N6O5S and molecular weight 474.17 g/mol. IUPAC: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide.
Chemical Property Profile of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
Property Insights of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
The XLogP value of 0.6371 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide. The TPSA of 128.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide. Following Lipinski's Rule of Five, N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide 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 N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
The CAS number of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide is 701240-41-7.
What is the molecular formula of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
The molecular formula of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide is C21H26N6O5S.
What is the molecular weight of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
The molecular weight of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide is 474.17 g/mol.
Where can I buy N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
You can request a quote for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.