A3910/0166309
TL;DR: A3910/0166309 (CAS 889949-85-3) is a chemical compound with molecular formula C20H20FN7O3S2 and molecular weight 489.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide
Also Known As: A3910/0166309, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-((7-(2-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide, N-(5-ETHYL-1,3,4-THIADIAZOL-2-YL)-2-({7-[(2-FLUOROPHENYL)METHYL]-1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL}SULFANYL)ACETAMIDE, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-{[7-(2-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide
| Molecular Formula | C20H20FN7O3S2 |
|---|---|
| Molecular Weight | 489.11 g/mol |
| LogP | 1.7658 |
| Topological Polar Surface Area | 116.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.10532 |
| Heavy Atoms | 33 |
| Complexity | 1470.8302 |
Chemical Identifiers
| CAS Number | 889949-85-3 |
|---|---|
| SMILES | CCC1=NN=C(S1)NC(=O)CSC2=NC3=C(N2CC4=CC=CC=C4F)C(=O)N(C(=O)N3C)C |
Product Overview
A3910/0166309 (CAS 889949-85-3), with molecular formula C20H20FN7O3S2 and molecular weight 489.11 g/mol. IUPAC: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetamide.
Chemical Property Profile of A3910/0166309
Property Insights of A3910/0166309
The XLogP value of 1.7658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3910/0166309. The TPSA of 116.7 Ų falls within the moderate polarity range, balancing permeability and solubility for A3910/0166309. Following Lipinski's Rule of Five, A3910/0166309 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 A3910/0166309?
The CAS number of A3910/0166309 is 889949-85-3.
What is the molecular formula of A3910/0166309?
The molecular formula of A3910/0166309 is C20H20FN7O3S2.
What is the molecular weight of A3910/0166309?
The molecular weight of A3910/0166309 is 489.11 g/mol.
Where can I buy A3910/0166309?
You can request a quote for A3910/0166309 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3910/0166309?
Yes, KEHONG BIO provides custom synthesis services for A3910/0166309 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.