Bionet1_000048
TL;DR: Bionet1_000048 (CAS 439096-43-2) is a chemical compound with molecular formula C23H19FN2S and molecular weight 374.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-fluorophenyl)methylsulfanyl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: Bionet1_000048, MixCom2_000175, 3-[(4-fluorobenzyl)sulfanyl]-1-phenyl-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile, 3-[(4-fluorophenyl)methylsulfanyl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-{[(4-fluorophenyl)methyl]sulfanyl}-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C23H19FN2S |
|---|---|
| Molecular Weight | 374.13 g/mol |
| LogP | 5.93048 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.1253 |
| Heavy Atoms | 27 |
| Complexity | 991.6272 |
Chemical Identifiers
| CAS Number | 439096-43-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(N=C2C3=CC=CC=C3)SCC4=CC=C(C=C4)F)C#N |
Product Overview
Bionet1_000048 (CAS 439096-43-2), with molecular formula C23H19FN2S and molecular weight 374.13 g/mol. IUPAC: 3-[(4-fluorophenyl)methylsulfanyl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of Bionet1_000048
Property Insights of Bionet1_000048
The XLogP value of 5.93048 indicates that Bionet1_000048 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_000048 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_000048 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_000048?
The CAS number of Bionet1_000048 is 439096-43-2.
What is the molecular formula of Bionet1_000048?
The molecular formula of Bionet1_000048 is C23H19FN2S.
What is the molecular weight of Bionet1_000048?
The molecular weight of Bionet1_000048 is 374.13 g/mol.
Where can I buy Bionet1_000048?
You can request a quote for Bionet1_000048 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000048?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000048 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.