RefChem:447756
TL;DR: RefChem:447756 (CAS 477331-62-7) is a chemical compound with molecular formula C24H21FN2O2S2 and molecular weight 452.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 2-[(2-fluorobenzyl)sulfanyl]-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 2-((2-Fluorobenzyl)thio)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 2-((2-Fluorobenzyl)sulfanyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro(1)benzothieno(2,3-D)pyrimidin-4(3H)-one, 2-[(2-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 5-{[(2-fluorophenyl)methyl]sulfanyl}-4-(4-methoxyphenyl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one
| Molecular Formula | C24H21FN2O2S2 |
|---|---|
| Molecular Weight | 452.10 g/mol |
| LogP | 5.766 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.10284 |
| Heavy Atoms | 31 |
| Complexity | 1311.9014 |
Chemical Identifiers
| CAS Number | 477331-62-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC=CC=C4F)SC5=C3CCCC5 |
Product Overview
RefChem:447756 (CAS 477331-62-7), with molecular formula C24H21FN2O2S2 and molecular weight 452.10 g/mol. IUPAC: 2-[(2-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of RefChem:447756
Property Insights of RefChem:447756
The XLogP value of 5.766 indicates that RefChem:447756 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, RefChem:447756 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:447756 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:447756?
The CAS number of RefChem:447756 is 477331-62-7.
What is the molecular formula of RefChem:447756?
The molecular formula of RefChem:447756 is C24H21FN2O2S2.
What is the molecular weight of RefChem:447756?
The molecular weight of RefChem:447756 is 452.10 g/mol.
Where can I buy RefChem:447756?
You can request a quote for RefChem:447756 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:447756?
Yes, KEHONG BIO provides custom synthesis services for RefChem:447756 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.