ChemDiv1_004856
TL;DR: ChemDiv1_004856 (CAS 325693-73-0) is a chemical compound with molecular formula C16H22N4O3S2 and molecular weight 382.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
Also Known As: ChemDiv1_004856, BAS 02072584, BIM-0044386.P001, 2-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-2-oxoethyl)thio)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one, AF-399/14201003
| Molecular Formula | C16H22N4O3S2 |
|---|---|
| Molecular Weight | 382.11 g/mol |
| LogP | 0.83004 |
| Topological Polar Surface Area | 89.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.11334 |
| Heavy Atoms | 25 |
| Complexity | 824.6295 |
Chemical Identifiers
| CAS Number | 325693-73-0 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)N3CCN(CC3)CCO)C |
Product Overview
ChemDiv1_004856 (CAS 325693-73-0), with molecular formula C16H22N4O3S2 and molecular weight 382.11 g/mol. IUPAC: 2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of ChemDiv1_004856
Property Insights of ChemDiv1_004856
The XLogP value of 0.83004 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_004856. The TPSA of 89.53 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004856. Following Lipinski's Rule of Five, ChemDiv1_004856 has 2 hydrogen bond donor(s) and 7 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 ChemDiv1_004856?
The CAS number of ChemDiv1_004856 is 325693-73-0.
What is the molecular formula of ChemDiv1_004856?
The molecular formula of ChemDiv1_004856 is C16H22N4O3S2.
What is the molecular weight of ChemDiv1_004856?
The molecular weight of ChemDiv1_004856 is 382.11 g/mol.
Where can I buy ChemDiv1_004856?
You can request a quote for ChemDiv1_004856 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004856?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004856 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.