AB00684518-01
TL;DR: AB00684518-01 (CAS 687567-84-6) is a chemical compound with molecular formula C22H18N4O4S2 and molecular weight 466.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
Also Known As: AB00684518-01, F0579-0811, 2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one, 2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-3-(4-nitrophenyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one, 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
| Molecular Formula | C22H18N4O4S2 |
|---|---|
| Molecular Weight | 466.08 g/mol |
| LogP | 3.4703 |
| Topological Polar Surface Area | 98.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 466.07693 |
| Heavy Atoms | 32 |
| Complexity | 1290.0786 |
Chemical Identifiers
| CAS Number | 687567-84-6 |
|---|---|
| SMILES | C1CN(C2=CC=CC=C21)C(=O)CSC3=NC4=C(C(=O)N3C5=CC=C(C=C5)[N+](=O)[O-])SCC4 |
Product Overview
AB00684518-01 (CAS 687567-84-6), with molecular formula C22H18N4O4S2 and molecular weight 466.08 g/mol. IUPAC: 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
Chemical Property Profile of AB00684518-01
Property Insights of AB00684518-01
The XLogP value of 3.4703 indicates that AB00684518-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.34 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684518-01. Following Lipinski's Rule of Five, AB00684518-01 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 AB00684518-01?
The CAS number of AB00684518-01 is 687567-84-6.
What is the molecular formula of AB00684518-01?
The molecular formula of AB00684518-01 is C22H18N4O4S2.
What is the molecular weight of AB00684518-01?
The molecular weight of AB00684518-01 is 466.08 g/mol.
Where can I buy AB00684518-01?
You can request a quote for AB00684518-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684518-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684518-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.