Bionet1_004603
TL;DR: Bionet1_004603 (CAS 478065-71-3) is a chemical compound with molecular formula C21H19N3OS2 and molecular weight 393.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11,13-dimethyl-6-(3-methylphenoxy)-4-prop-2-enylsulfanyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
Also Known As: Bionet1_004603, 6R-1310, 2-(allylsulfanyl)-7,9-dimethyl-4-(3-methylphenoxy)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 11,13-dimethyl-6-(3-methylphenoxy)-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, 11,13-dimethyl-6-(3-methylphenoxy)-4-prop-2-enylsulfanyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
| Molecular Formula | C21H19N3OS2 |
|---|---|
| Molecular Weight | 393.10 g/mol |
| LogP | 6.23516 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.09695 |
| Heavy Atoms | 27 |
| Complexity | 1167.2289 |
Chemical Identifiers
| CAS Number | 478065-71-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC2=NC(=NC3=C2SC4=C3C(=CC(=N4)C)C)SCC=C |
Product Overview
Bionet1_004603 (CAS 478065-71-3), with molecular formula C21H19N3OS2 and molecular weight 393.10 g/mol. IUPAC: 11,13-dimethyl-6-(3-methylphenoxy)-4-prop-2-enylsulfanyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
Chemical Property Profile of Bionet1_004603
Property Insights of Bionet1_004603
The XLogP value of 6.23516 indicates that Bionet1_004603 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.9 Ų, Bionet1_004603 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_004603 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 Bionet1_004603?
The CAS number of Bionet1_004603 is 478065-71-3.
What is the molecular formula of Bionet1_004603?
The molecular formula of Bionet1_004603 is C21H19N3OS2.
What is the molecular weight of Bionet1_004603?
The molecular weight of Bionet1_004603 is 393.10 g/mol.
Where can I buy Bionet1_004603?
You can request a quote for Bionet1_004603 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004603?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004603 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.