![2-[7-[(3-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide structure](/static/products/3334/333415-46-6.webp)
2-[7-[(3-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide
TL;DR: 2-[7-[(3-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide (CAS 333415-46-6) is a chemical compound with molecular formula C16H16ClN5O3S and molecular weight 393.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide
Also Known As: BAS 02725250, AB00105244-01, AN-988/37365057, 2-[7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide, A2517/0106938
| Molecular Formula | C16H16ClN5O3S |
|---|---|
| Molecular Weight | 393.07 g/mol |
| LogP | 0.7128 |
| Topological Polar Surface Area | 104.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.06622 |
| Heavy Atoms | 26 |
| Complexity | 1131.3412 |
Chemical Identifiers
| CAS Number | 333415-46-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)N)CC3=CC(=CC=C3)Cl |
Product Overview
2-[7-[(3-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide (CAS 333415-46-6), with molecular formula C16H16ClN5O3S and molecular weight 393.07 g/mol. IUPAC: 2-[7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide.
Chemical Property Profile of 2-[7-[(3-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide
Property Insights of 2-[7-[(3-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide
The XLogP value of 0.7128 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[7-[(3-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide. The TPSA of 104.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[7-[(3-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide. Following Lipinski's Rule of Five, 2-[7-[(3-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide has 1 hydrogen bond donor(s) and 5 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-[7-[(3-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide?
The CAS number of 2-[7-[(3-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide is 333415-46-6.
What is the molecular formula of 2-[7-[(3-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide?
The molecular formula of 2-[7-[(3-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide is C16H16ClN5O3S.
What is the molecular weight of 2-[7-[(3-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide?
The molecular weight of 2-[7-[(3-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide is 393.07 g/mol.
Where can I buy 2-[7-[(3-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide?
You can request a quote for 2-[7-[(3-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[7-[(3-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[7-[(3-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.