ChemDiv3_009978
TL;DR: ChemDiv3_009978 (CAS 847191-54-2) is a chemical compound with molecular formula C23H21N5O3S2 and molecular weight 479.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-thiophen-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: ChemDiv3_009978, IDI1_027888, F0654-1439, 1,3-dimethyl-5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-7-(thiophen-2-yl)-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione, 5-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-1,3-dimethyl-7-(thiophen-2-yl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C23H21N5O3S2 |
|---|---|
| Molecular Weight | 479.11 g/mol |
| LogP | 2.8272 |
| Topological Polar Surface Area | 90.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 479.10858 |
| Heavy Atoms | 33 |
| Complexity | 1490.7471 |
Chemical Identifiers
| CAS Number | 847191-54-2 |
|---|---|
| SMILES | CN1C2=C(C(=NC(=N2)C3=CC=CS3)SCC(=O)N4CCCC5=CC=CC=C54)C(=O)N(C1=O)C |
Product Overview
ChemDiv3_009978 (CAS 847191-54-2), with molecular formula C23H21N5O3S2 and molecular weight 479.11 g/mol. IUPAC: 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-thiophen-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of ChemDiv3_009978
Property Insights of ChemDiv3_009978
The XLogP value of 2.8272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_009978. The TPSA of 90.09 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_009978. Following Lipinski's Rule of Five, ChemDiv3_009978 has 0 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 ChemDiv3_009978?
The CAS number of ChemDiv3_009978 is 847191-54-2.
What is the molecular formula of ChemDiv3_009978?
The molecular formula of ChemDiv3_009978 is C23H21N5O3S2.
What is the molecular weight of ChemDiv3_009978?
The molecular weight of ChemDiv3_009978 is 479.11 g/mol.
Where can I buy ChemDiv3_009978?
You can request a quote for ChemDiv3_009978 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_009978?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_009978 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.