ChemDiv2_004784
TL;DR: ChemDiv2_004784 (CAS 690960-28-2) is a chemical compound with molecular formula C24H23N5O4S and molecular weight 477.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one
Also Known As: ChemDiv2_004784, IDI1_003499, VU0618180-1, 6-((2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one, 6-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one
| Molecular Formula | C24H23N5O4S |
|---|---|
| Molecular Weight | 477.15 g/mol |
| LogP | 2.803 |
| Topological Polar Surface Area | 102.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 477.14706 |
| Heavy Atoms | 34 |
| Complexity | 1416.4034 |
Chemical Identifiers
| CAS Number | 690960-28-2 |
|---|---|
| SMILES | COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC4=C(C=NN4)C(=O)N3C5=CC=CC=C5)OC |
Product Overview
ChemDiv2_004784 (CAS 690960-28-2), with molecular formula C24H23N5O4S and molecular weight 477.15 g/mol. IUPAC: 6-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-one.
Chemical Property Profile of ChemDiv2_004784
Property Insights of ChemDiv2_004784
The XLogP value of 2.803 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_004784. The TPSA of 102.34 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004784. Following Lipinski's Rule of Five, ChemDiv2_004784 has 1 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 ChemDiv2_004784?
The CAS number of ChemDiv2_004784 is 690960-28-2.
What is the molecular formula of ChemDiv2_004784?
The molecular formula of ChemDiv2_004784 is C24H23N5O4S.
What is the molecular weight of ChemDiv2_004784?
The molecular weight of ChemDiv2_004784 is 477.15 g/mol.
Where can I buy ChemDiv2_004784?
You can request a quote for ChemDiv2_004784 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004784?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004784 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.