Bionet1_000074
TL;DR: Bionet1_000074 (CAS 691868-87-8) is a chemical compound with molecular formula C19H18ClFN2S and molecular weight 360.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-(3-fluoropropylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: Bionet1_000074, MixCom2_000287, 1-(4-chlorophenyl)-3-[(3-fluoropropyl)sulfanyl]-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile, 1-(4-chlorophenyl)-3-(3-fluoropropylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 1-(4-chlorophenyl)-3-[(3-fluoropropyl)sulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C19H18ClFN2S |
|---|---|
| Molecular Weight | 360.09 g/mol |
| LogP | 5.60418 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.08633 |
| Heavy Atoms | 24 |
| Complexity | 768.41675 |
Chemical Identifiers
| CAS Number | 691868-87-8 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(N=C2C3=CC=C(C=C3)Cl)SCCCF)C#N |
Product Overview
Bionet1_000074 (CAS 691868-87-8), with molecular formula C19H18ClFN2S and molecular weight 360.09 g/mol. IUPAC: 1-(4-chlorophenyl)-3-(3-fluoropropylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of Bionet1_000074
Property Insights of Bionet1_000074
The XLogP value of 5.60418 indicates that Bionet1_000074 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_000074 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_000074 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_000074?
The CAS number of Bionet1_000074 is 691868-87-8.
What is the molecular formula of Bionet1_000074?
The molecular formula of Bionet1_000074 is C19H18ClFN2S.
What is the molecular weight of Bionet1_000074?
The molecular weight of Bionet1_000074 is 360.09 g/mol.
Where can I buy Bionet1_000074?
You can request a quote for Bionet1_000074 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000074?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000074 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.