Bionet1_004879
TL;DR: Bionet1_004879 (CAS 439107-41-2) is a chemical compound with molecular formula C25H24N2S and molecular weight 384.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: Bionet1_004879, 3-[(3-methylbenzyl)sulfanyl]-1-(3-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile, 3T-0327, 1-(3-methylphenyl)-3-{[(3-methylphenyl)methyl]sulfanyl}-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 1-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C25H24N2S |
|---|---|
| Molecular Weight | 384.17 g/mol |
| LogP | 6.40822 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.16602 |
| Heavy Atoms | 28 |
| Complexity | 1062.6284 |
Chemical Identifiers
| CAS Number | 439107-41-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CSC2=C(C3=C(CCCC3)C(=N2)C4=CC=CC(=C4)C)C#N |
Product Overview
Bionet1_004879 (CAS 439107-41-2), with molecular formula C25H24N2S and molecular weight 384.17 g/mol. IUPAC: 1-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of Bionet1_004879
Property Insights of Bionet1_004879
The XLogP value of 6.40822 indicates that Bionet1_004879 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, Bionet1_004879 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_004879 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bionet1_004879?
The CAS number of Bionet1_004879 is 439107-41-2.
What is the molecular formula of Bionet1_004879?
The molecular formula of Bionet1_004879 is C25H24N2S.
What is the molecular weight of Bionet1_004879?
The molecular weight of Bionet1_004879 is 384.17 g/mol.
Where can I buy Bionet1_004879?
You can request a quote for Bionet1_004879 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004879?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004879 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.