AB00684513-01
TL;DR: AB00684513-01 (CAS 687563-19-5) is a chemical compound with molecular formula C22H18ClN3O2S2 and molecular weight 455.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
Also Known As: AB00684513-01, F0579-0611, 3-(4-chlorophenyl)-2-((2-(indolin-1-yl)-2-oxoethyl)thio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one, 3-(4-chlorophenyl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one, 3-(4-chlorophenyl)-2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
| Molecular Formula | C22H18ClN3O2S2 |
|---|---|
| Molecular Weight | 455.05 g/mol |
| LogP | 4.2155 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.0529 |
| Heavy Atoms | 30 |
| Complexity | 1193.9773 |
Chemical Identifiers
| CAS Number | 687563-19-5 |
|---|---|
| SMILES | C1CN(C2=CC=CC=C21)C(=O)CSC3=NC4=C(C(=O)N3C5=CC=C(C=C5)Cl)SCC4 |
Product Overview
AB00684513-01 (CAS 687563-19-5), with molecular formula C22H18ClN3O2S2 and molecular weight 455.05 g/mol. IUPAC: 3-(4-chlorophenyl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
Chemical Property Profile of AB00684513-01
Property Insights of AB00684513-01
The XLogP value of 4.2155 indicates that AB00684513-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, AB00684513-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00684513-01 has 0 hydrogen bond donor(s) and 5 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 AB00684513-01?
The CAS number of AB00684513-01 is 687563-19-5.
What is the molecular formula of AB00684513-01?
The molecular formula of AB00684513-01 is C22H18ClN3O2S2.
What is the molecular weight of AB00684513-01?
The molecular weight of AB00684513-01 is 455.05 g/mol.
Where can I buy AB00684513-01?
You can request a quote for AB00684513-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684513-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684513-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.