ChemDiv3_010196
TL;DR: ChemDiv3_010196 (CAS 847190-84-5) is a chemical compound with molecular formula C20H23N5O4S and molecular weight 429.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(furan-2-yl)-1,3-dimethyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: ChemDiv3_010196, IDI1_028106, AB00671177-01, F0654-1306, BRD-K26204139-001-01-5
| Molecular Formula | C20H23N5O4S |
|---|---|
| Molecular Weight | 429.15 g/mol |
| LogP | 1.6378 |
| Topological Polar Surface Area | 103.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.14706 |
| Heavy Atoms | 30 |
| Complexity | 1206.6404 |
Chemical Identifiers
| CAS Number | 847190-84-5 |
|---|---|
| SMILES | CC1CCN(CC1)C(=O)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=CO4 |
Product Overview
ChemDiv3_010196 (CAS 847190-84-5), with molecular formula C20H23N5O4S and molecular weight 429.15 g/mol. IUPAC: 7-(furan-2-yl)-1,3-dimethyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of ChemDiv3_010196
Property Insights of ChemDiv3_010196
The XLogP value of 1.6378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_010196. The TPSA of 103.23 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_010196. Following Lipinski's Rule of Five, ChemDiv3_010196 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_010196?
The CAS number of ChemDiv3_010196 is 847190-84-5.
What is the molecular formula of ChemDiv3_010196?
The molecular formula of ChemDiv3_010196 is C20H23N5O4S.
What is the molecular weight of ChemDiv3_010196?
The molecular weight of ChemDiv3_010196 is 429.15 g/mol.
Where can I buy ChemDiv3_010196?
You can request a quote for ChemDiv3_010196 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_010196?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_010196 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.