A3910/0166308
TL;DR: A3910/0166308 (CAS 889949-81-9) is a chemical compound with molecular formula C19H21N7O3S2 and molecular weight 459.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dimethyl-2,6-dioxo-7-propylpurin-8-yl)sulfanyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
Also Known As: A3910/0166308, 2-[(1,3-dimethyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide, 2-((1,3-dimethyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-(5-methylbenzo[c][1,2,5]thiadiazol-4-yl)acetamide, 2-(1,3-dimethyl-2,6-dioxo-7-propylpurin-8-yl)sulfanyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide, N-(5-Methyl-2,1,3-benzothiadiazol-4-yl)-2-[(2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-7-propyl-1H-purin-8-yl)thio]acetamide
| Molecular Formula | C19H21N7O3S2 |
|---|---|
| Molecular Weight | 459.11 g/mol |
| LogP | 1.88762 |
| Topological Polar Surface Area | 116.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.11472 |
| Heavy Atoms | 31 |
| Complexity | 1430.5505 |
Chemical Identifiers
| CAS Number | 889949-81-9 |
|---|---|
| SMILES | CCCN1C2=C(N=C1SCC(=O)NC3=C(C=CC4=NSN=C43)C)N(C(=O)N(C2=O)C)C |
Product Overview
A3910/0166308 (CAS 889949-81-9), with molecular formula C19H21N7O3S2 and molecular weight 459.11 g/mol. IUPAC: 2-(1,3-dimethyl-2,6-dioxo-7-propylpurin-8-yl)sulfanyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide.
Chemical Property Profile of A3910/0166308
Property Insights of A3910/0166308
The XLogP value of 1.88762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3910/0166308. The TPSA of 116.7 Ų falls within the moderate polarity range, balancing permeability and solubility for A3910/0166308. Following Lipinski's Rule of Five, A3910/0166308 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 A3910/0166308?
The CAS number of A3910/0166308 is 889949-81-9.
What is the molecular formula of A3910/0166308?
The molecular formula of A3910/0166308 is C19H21N7O3S2.
What is the molecular weight of A3910/0166308?
The molecular weight of A3910/0166308 is 459.11 g/mol.
Where can I buy A3910/0166308?
You can request a quote for A3910/0166308 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3910/0166308?
Yes, KEHONG BIO provides custom synthesis services for A3910/0166308 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.