SARS-CoV-2 3CLpro-IN-20
TL;DR: SARS-CoV-2 3CLpro-IN-20 (CAS 878985-00-3) is a chemical compound with molecular formula C19H12BrNO2 and molecular weight 365.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-1-(naphthalen-2-ylmethyl)indole-2,3-dione
Also Known As: SARS-CoV-2 3CLpro-IN-20, 5-Bromo-1-(naphthalen-2-ylmethyl)indoline-2,3-dione, 5-bromo-1-(naphthalen-2-ylmethyl)-1H-indole-2,3-dione, 5-bromo-1-(naphthalen-2-ylmethyl)indole-2,3-dione
| Molecular Formula | C19H12BrNO2 |
|---|---|
| Molecular Weight | 365.01 g/mol |
| LogP | 4.3318 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 365.00513 |
| Heavy Atoms | 23 |
| Complexity | 964.4958 |
Chemical Identifiers
| CAS Number | 878985-00-3 |
|---|---|
| SMILES | C1=CC=C2C=C(C=CC2=C1)CN3C4=C(C=C(C=C4)Br)C(=O)C3=O |
Product Overview
SARS-CoV-2 3CLpro-IN-20 (CAS 878985-00-3), with molecular formula C19H12BrNO2 and molecular weight 365.01 g/mol. IUPAC: 5-bromo-1-(naphthalen-2-ylmethyl)indole-2,3-dione.
Chemical Property Profile of SARS-CoV-2 3CLpro-IN-20
Property Insights of SARS-CoV-2 3CLpro-IN-20
The XLogP value of 4.3318 indicates that SARS-CoV-2 3CLpro-IN-20 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, SARS-CoV-2 3CLpro-IN-20 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, SARS-CoV-2 3CLpro-IN-20 has 0 hydrogen bond donor(s) and 2 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-20?
The CAS number of SARS-CoV-2 3CLpro-IN-20 is 878985-00-3.
What is the molecular formula of SARS-CoV-2 3CLpro-IN-20?
The molecular formula of SARS-CoV-2 3CLpro-IN-20 is C19H12BrNO2.
What is the molecular weight of SARS-CoV-2 3CLpro-IN-20?
The molecular weight of SARS-CoV-2 3CLpro-IN-20 is 365.01 g/mol.
Where can I buy SARS-CoV-2 3CLpro-IN-20?
You can request a quote for SARS-CoV-2 3CLpro-IN-20 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-20?
Yes, KEHONG BIO provides custom synthesis services for SARS-CoV-2 3CLpro-IN-20 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.