A0180/0008108
TL;DR: A0180/0008108 (CAS 315246-99-2) is a chemical compound with molecular formula C19H17ClN2OS and molecular weight 356.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: A0180/0008108, 3-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-[(4'-Chlorophenacyl)thio]-5,6,7,8-tetrahydro-1-methyl-4-isoquinolinecarbonitrile, 1-methyl-3-[2-(4-chlorophenyl)-2-oxoethylthio]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-((2-(4-chlorophenyl)-2-oxoethyl)thio)-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C19H17ClN2OS |
|---|---|
| Molecular Weight | 356.07 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 79.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.075 |
| Heavy Atoms | 24 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 315246-99-2 |
|---|---|
| SMILES | CC1=C2CCCCC2=C(C(=N1)SCC(=O)C3=CC=C(C=C3)Cl)C#N |
| InChIKey | WQNNATGCMZUQBE-UHFFFAOYSA-N |
Product Overview
A0180/0008108 (CAS 315246-99-2), with molecular formula C19H17ClN2OS and molecular weight 356.07 g/mol. IUPAC: 3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of A0180/0008108
Property Insights of A0180/0008108
The XLogP value of 5.2 indicates that A0180/0008108 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.1 Ų falls within the moderate polarity range, balancing permeability and solubility for A0180/0008108. Following Lipinski's Rule of Five, A0180/0008108 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A0180/0008108?
The CAS number of A0180/0008108 is 315246-99-2.
What is the molecular formula of A0180/0008108?
The molecular formula of A0180/0008108 is C19H17ClN2OS.
What is the molecular weight of A0180/0008108?
The molecular weight of A0180/0008108 is 356.07 g/mol.
Where can I buy A0180/0008108?
You can request a quote for A0180/0008108 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0180/0008108?
Yes, KEHONG BIO provides custom synthesis services for A0180/0008108 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.