ChemDiv1_004812
TL;DR: ChemDiv1_004812 (CAS 325693-69-4) is a chemical compound with molecular formula C18H19N3O3S2 and molecular weight 389.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-hydroxyethyl)acetamide
Also Known As: ChemDiv1_004812, MixCom6_001618, BAS 02072580, BIM-0031287.P001, AF-399/14202013
| Molecular Formula | C18H19N3O3S2 |
|---|---|
| Molecular Weight | 389.09 g/mol |
| LogP | 2.26464 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.0868 |
| Heavy Atoms | 26 |
| Complexity | 996.3242 |
Chemical Identifiers
| CAS Number | 325693-69-4 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NCCO)C3=CC=CC=C3)C |
Product Overview
ChemDiv1_004812 (CAS 325693-69-4), with molecular formula C18H19N3O3S2 and molecular weight 389.09 g/mol. IUPAC: 2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-hydroxyethyl)acetamide.
Chemical Property Profile of ChemDiv1_004812
Property Insights of ChemDiv1_004812
The XLogP value of 2.26464 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_004812. The TPSA of 84.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004812. Following Lipinski's Rule of Five, ChemDiv1_004812 has 2 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 ChemDiv1_004812?
The CAS number of ChemDiv1_004812 is 325693-69-4.
What is the molecular formula of ChemDiv1_004812?
The molecular formula of ChemDiv1_004812 is C18H19N3O3S2.
What is the molecular weight of ChemDiv1_004812?
The molecular weight of ChemDiv1_004812 is 389.09 g/mol.
Where can I buy ChemDiv1_004812?
You can request a quote for ChemDiv1_004812 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004812?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004812 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.