C20H21FN2OS3
TL;DR: C20H21FN2OS3 (CAS 799779-48-9) is a chemical compound with molecular formula C20H21FN2OS3 and molecular weight 420.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-ethyl-3-[(2-fluorophenyl)methylsulfanyl]-12-methyl-5-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
Also Known As: 6-ethyl-4-[(2-fluorobenzyl)sulfanyl]-6-methyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine, 6-ethyl-4-((2-fluorobenzyl)thio)-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
| Molecular Formula | C20H21FN2OS3 |
|---|---|
| Molecular Weight | 420.08 g/mol |
| LogP | 6.086 |
| Topological Polar Surface Area | 35.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.08002 |
| Heavy Atoms | 27 |
| Complexity | 990.76245 |
Chemical Identifiers
| CAS Number | 799779-48-9 |
|---|---|
| SMILES | CCC1(CC2=C(CO1)SC3=C2C(=NC(=N3)SC)SCC4=CC=CC=C4F)C |
Product Overview
C20H21FN2OS3 (CAS 799779-48-9), with molecular formula C20H21FN2OS3 and molecular weight 420.08 g/mol. IUPAC: 12-ethyl-3-[(2-fluorophenyl)methylsulfanyl]-12-methyl-5-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene.
Chemical Property Profile of C20H21FN2OS3
Property Insights of C20H21FN2OS3
The XLogP value of 6.086 indicates that C20H21FN2OS3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.01 Ų, C20H21FN2OS3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C20H21FN2OS3 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C20H21FN2OS3?
The CAS number of C20H21FN2OS3 is 799779-48-9.
What is the molecular formula of C20H21FN2OS3?
The molecular formula of C20H21FN2OS3 is C20H21FN2OS3.
What is the molecular weight of C20H21FN2OS3?
The molecular weight of C20H21FN2OS3 is 420.08 g/mol.
Where can I buy C20H21FN2OS3?
You can request a quote for C20H21FN2OS3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H21FN2OS3?
Yes, KEHONG BIO provides custom synthesis services for C20H21FN2OS3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.