Bionet1_004563
TL;DR: Bionet1_004563 (CAS 672950-70-8) is a chemical compound with molecular formula C18H20N4OS2 and molecular weight 372.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(11,13-dimethyl-4-prop-2-enylsulfanyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)morpholine
Also Known As: Bionet1_004563, 5R-1311, 2-(allylsulfanyl)-7,9-dimethyl-4-morpholinopyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 11,13-dimethyl-6-(morpholin-4-yl)-4-(prop-2-en-1-ylsulfanyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene, 4-(11,13-dimethyl-4-prop-2-enylsulfanyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)morpholine
| Molecular Formula | C18H20N4OS2 |
|---|---|
| Molecular Weight | 372.11 g/mol |
| LogP | 3.97104 |
| Topological Polar Surface Area | 51.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.10785 |
| Heavy Atoms | 25 |
| Complexity | 947.28986 |
Chemical Identifiers
| CAS Number | 672950-70-8 |
|---|---|
| SMILES | CC1=CC(=NC2=C1C3=C(S2)C(=NC(=N3)SCC=C)N4CCOCC4)C |
Product Overview
Bionet1_004563 (CAS 672950-70-8), with molecular formula C18H20N4OS2 and molecular weight 372.11 g/mol. IUPAC: 4-(11,13-dimethyl-4-prop-2-enylsulfanyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)morpholine.
Chemical Property Profile of Bionet1_004563
Property Insights of Bionet1_004563
The XLogP value of 3.97104 indicates that Bionet1_004563 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.14 Ų, Bionet1_004563 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_004563 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 Bionet1_004563?
The CAS number of Bionet1_004563 is 672950-70-8.
What is the molecular formula of Bionet1_004563?
The molecular formula of Bionet1_004563 is C18H20N4OS2.
What is the molecular weight of Bionet1_004563?
The molecular weight of Bionet1_004563 is 372.11 g/mol.
Where can I buy Bionet1_004563?
You can request a quote for Bionet1_004563 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004563?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004563 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.