Bionet1_000079
TL;DR: Bionet1_000079 (CAS 691868-94-7) is a chemical compound with molecular formula C24H21FN2S and molecular weight 388.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: Bionet1_000079, MixCom2_000297, 3-[(4-fluorobenzyl)sulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile, 11R-0283, 3-{[(4-fluorophenyl)methyl]sulfanyl}-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C24H21FN2S |
|---|---|
| Molecular Weight | 388.14 g/mol |
| LogP | 6.2389 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.14096 |
| Heavy Atoms | 28 |
| Complexity | 1034.1857 |
Chemical Identifiers
| CAS Number | 691868-94-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC(=C(C3=C2CCCC3)C#N)SCC4=CC=C(C=C4)F |
Product Overview
Bionet1_000079 (CAS 691868-94-7), with molecular formula C24H21FN2S and molecular weight 388.14 g/mol. IUPAC: 3-[(4-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of Bionet1_000079
Property Insights of Bionet1_000079
The XLogP value of 6.2389 indicates that Bionet1_000079 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_000079 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_000079 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_000079?
The CAS number of Bionet1_000079 is 691868-94-7.
What is the molecular formula of Bionet1_000079?
The molecular formula of Bionet1_000079 is C24H21FN2S.
What is the molecular weight of Bionet1_000079?
The molecular weight of Bionet1_000079 is 388.14 g/mol.
Where can I buy Bionet1_000079?
You can request a quote for Bionet1_000079 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000079?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000079 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.