SARS-CoV-2 3CLpro-IN-16
TL;DR: SARS-CoV-2 3CLpro-IN-16 (CAS 352659-40-6) is a chemical compound with molecular formula C17H14N2OS and molecular weight 294.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] thiocyanate
Also Known As: SARS-CoV-2 3CLpro-IN-16, BAS 02101625, AJ-292/14596076, 1-(10,11-Dihydro-dibenzo[b,f]azepin-5-yl)-2-thiocyanato-ethanone, 2-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-oxoethyl thiocyanate
| Molecular Formula | C17H14N2OS |
|---|---|
| Molecular Weight | 294.08 g/mol |
| LogP | 3.66418 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.08267 |
| Heavy Atoms | 21 |
| Complexity | 673.2252 |
Chemical Identifiers
| CAS Number | 352659-40-6 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CSC#N |
Product Overview
SARS-CoV-2 3CLpro-IN-16 (CAS 352659-40-6), with molecular formula C17H14N2OS and molecular weight 294.08 g/mol. IUPAC: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] thiocyanate.
Chemical Property Profile of SARS-CoV-2 3CLpro-IN-16
Property Insights of SARS-CoV-2 3CLpro-IN-16
The XLogP value of 3.66418 indicates that SARS-CoV-2 3CLpro-IN-16 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, SARS-CoV-2 3CLpro-IN-16 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, SARS-CoV-2 3CLpro-IN-16 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of SARS-CoV-2 3CLpro-IN-16?
The CAS number of SARS-CoV-2 3CLpro-IN-16 is 352659-40-6.
What is the molecular formula of SARS-CoV-2 3CLpro-IN-16?
The molecular formula of SARS-CoV-2 3CLpro-IN-16 is C17H14N2OS.
What is the molecular weight of SARS-CoV-2 3CLpro-IN-16?
The molecular weight of SARS-CoV-2 3CLpro-IN-16 is 294.08 g/mol.
Where can I buy SARS-CoV-2 3CLpro-IN-16?
You can request a quote for SARS-CoV-2 3CLpro-IN-16 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SARS-CoV-2 3CLpro-IN-16?
Yes, KEHONG BIO provides custom synthesis services for SARS-CoV-2 3CLpro-IN-16 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.