ChemDiv2_006046
TL;DR: ChemDiv2_006046 (CAS 851409-92-2) is a chemical compound with molecular formula C21H25N3O3S2 and molecular weight 431.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-(2-methoxyethyl)-6-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
Also Known As: ChemDiv2_006046, IDI1_004761, F0612-0162, 3-(2-methoxyethyl)-6-methyl-2-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one, 2-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-3-(2-methoxyethyl)-6-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
| Molecular Formula | C21H25N3O3S2 |
|---|---|
| Molecular Weight | 431.13 g/mol |
| LogP | 2.9979 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.13373 |
| Heavy Atoms | 29 |
| Complexity | 976.1291 |
Chemical Identifiers
| CAS Number | 851409-92-2 |
|---|---|
| SMILES | CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)N3CCCC4=CC=CC=C43)CCOC |
Product Overview
ChemDiv2_006046 (CAS 851409-92-2), with molecular formula C21H25N3O3S2 and molecular weight 431.13 g/mol. IUPAC: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-(2-methoxyethyl)-6-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
Chemical Property Profile of ChemDiv2_006046
Property Insights of ChemDiv2_006046
The XLogP value of 2.9979 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_006046. The TPSA of 64.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_006046. Following Lipinski's Rule of Five, ChemDiv2_006046 has 0 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 ChemDiv2_006046?
The CAS number of ChemDiv2_006046 is 851409-92-2.
What is the molecular formula of ChemDiv2_006046?
The molecular formula of ChemDiv2_006046 is C21H25N3O3S2.
What is the molecular weight of ChemDiv2_006046?
The molecular weight of ChemDiv2_006046 is 431.13 g/mol.
Where can I buy ChemDiv2_006046?
You can request a quote for ChemDiv2_006046 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006046?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006046 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.