C16H20N2OS3
TL;DR: C16H20N2OS3 (CAS 799808-86-9) is a chemical compound with molecular formula C16H20N2OS3 and molecular weight 352.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-ethyl-12-methyl-5-methylsulfanyl-3-prop-2-enylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
Also Known As: 4-(allylthio)-6-ethyl-6-methyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine, 6-ethyl-6-methyl-2-(methylsulfanyl)-4-(prop-2-en-1-ylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
| Molecular Formula | C16H20N2OS3 |
|---|---|
| Molecular Weight | 352.07 g/mol |
| LogP | 4.9327 |
| Topological Polar Surface Area | 35.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.0738 |
| Heavy Atoms | 22 |
| Complexity | 712.9691 |
Chemical Identifiers
| CAS Number | 799808-86-9 |
|---|---|
| SMILES | CCC1(CC2=C(CO1)SC3=C2C(=NC(=N3)SC)SCC=C)C |
Product Overview
C16H20N2OS3 (CAS 799808-86-9), with molecular formula C16H20N2OS3 and molecular weight 352.07 g/mol. IUPAC: 12-ethyl-12-methyl-5-methylsulfanyl-3-prop-2-enylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene.
Chemical Property Profile of C16H20N2OS3
Property Insights of C16H20N2OS3
The XLogP value of 4.9327 indicates that C16H20N2OS3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.01 Ų, C16H20N2OS3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C16H20N2OS3 has 0 hydrogen bond donor(s) and 6 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 C16H20N2OS3?
The CAS number of C16H20N2OS3 is 799808-86-9.
What is the molecular formula of C16H20N2OS3?
The molecular formula of C16H20N2OS3 is C16H20N2OS3.
What is the molecular weight of C16H20N2OS3?
The molecular weight of C16H20N2OS3 is 352.07 g/mol.
Where can I buy C16H20N2OS3?
You can request a quote for C16H20N2OS3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H20N2OS3?
Yes, KEHONG BIO provides custom synthesis services for C16H20N2OS3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.