ChemDiv1_003258
TL;DR: ChemDiv1_003258 (CAS 313704-90-4) is a chemical compound with molecular formula C23H20N2O4S and molecular weight 420.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: ChemDiv1_003258, BAS 01369714, BIM-0041264.P001, 2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, A2241/0094345
| Molecular Formula | C23H20N2O4S |
|---|---|
| Molecular Weight | 420.11 g/mol |
| LogP | 4.7867 |
| Topological Polar Surface Area | 107.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.11438 |
| Heavy Atoms | 30 |
| Complexity | 1176.6768 |
Chemical Identifiers
| CAS Number | 313704-90-4 |
|---|---|
| SMILES | CC1=CC=C(O1)C2=C(C(=NC3=C2CCCC3)SCC(=O)C4=CC(=C(C=C4)O)O)C#N |
Product Overview
ChemDiv1_003258 (CAS 313704-90-4), with molecular formula C23H20N2O4S and molecular weight 420.11 g/mol. IUPAC: 2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of ChemDiv1_003258
Property Insights of ChemDiv1_003258
The XLogP value of 4.7867 indicates that ChemDiv1_003258 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.35 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003258. Following Lipinski's Rule of Five, ChemDiv1_003258 has 2 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 ChemDiv1_003258?
The CAS number of ChemDiv1_003258 is 313704-90-4.
What is the molecular formula of ChemDiv1_003258?
The molecular formula of ChemDiv1_003258 is C23H20N2O4S.
What is the molecular weight of ChemDiv1_003258?
The molecular weight of ChemDiv1_003258 is 420.11 g/mol.
Where can I buy ChemDiv1_003258?
You can request a quote for ChemDiv1_003258 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003258?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003258 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.