AB00684511-01
TL;DR: AB00684511-01 (CAS 686772-67-8) is a chemical compound with molecular formula C21H19N3O4S2 and molecular weight 441.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-ethoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
Also Known As: AB00684511-01, F0579-0469, 3-(4-ethoxyphenyl)-2-((4-nitrobenzyl)thio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one, 3-(4-ethoxyphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one, 3-(4-ethoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
| Molecular Formula | C21H19N3O4S2 |
|---|---|
| Molecular Weight | 441.08 g/mol |
| LogP | 4.4799 |
| Topological Polar Surface Area | 87.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 441.0817 |
| Heavy Atoms | 30 |
| Complexity | 1128.7286 |
Chemical Identifiers
| CAS Number | 686772-67-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=C(CCS3)N=C2SCC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
AB00684511-01 (CAS 686772-67-8), with molecular formula C21H19N3O4S2 and molecular weight 441.08 g/mol. IUPAC: 3-(4-ethoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
Chemical Property Profile of AB00684511-01
Property Insights of AB00684511-01
The XLogP value of 4.4799 indicates that AB00684511-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.26 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684511-01. Following Lipinski's Rule of Five, AB00684511-01 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 AB00684511-01?
The CAS number of AB00684511-01 is 686772-67-8.
What is the molecular formula of AB00684511-01?
The molecular formula of AB00684511-01 is C21H19N3O4S2.
What is the molecular weight of AB00684511-01?
The molecular weight of AB00684511-01 is 441.08 g/mol.
Where can I buy AB00684511-01?
You can request a quote for AB00684511-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684511-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684511-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.