Mpro inhibitor N3
TL;DR: Mpro inhibitor N3 (CAS 884650-98-0) is a chemical compound with molecular formula C35H48N6O8 and molecular weight 680.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-methyl-2-[[(2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoyl]amino]butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Also Known As: Mpro inhibitor N3, MPro N3, Inhibitor N3, the N3 Compound, MPro-IN-N3
| Molecular Formula | C35H48N6O8 |
|---|---|
| Molecular Weight | 680.35 g/mol |
| LogP | 2.08362 |
| Topological Polar Surface Area | 197.83 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 17 |
| Exact Mass | 680.35333 |
| Heavy Atoms | 49 |
| Complexity | 1487.754 |
Chemical Identifiers
| CAS Number | 884650-98-0 |
|---|---|
| SMILES | CC1=CC(=NO1)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)/C=C/C(=O)OCC3=CC=CC=C3 |
Product Overview
Mpro inhibitor N3 (CAS 884650-98-0), with molecular formula C35H48N6O8 and molecular weight 680.35 g/mol. IUPAC: benzyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-methyl-2-[[(2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoyl]amino]butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate.
Chemical Property Profile of Mpro inhibitor N3
Property Insights of Mpro inhibitor N3
The XLogP value of 2.08362 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mpro inhibitor N3. The TPSA of 197.83 Ų indicates high polarity, suggesting Mpro inhibitor N3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mpro inhibitor N3 has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mpro inhibitor N3?
The CAS number of Mpro inhibitor N3 is 884650-98-0.
What is the molecular formula of Mpro inhibitor N3?
The molecular formula of Mpro inhibitor N3 is C35H48N6O8.
What is the molecular weight of Mpro inhibitor N3?
The molecular weight of Mpro inhibitor N3 is 680.35 g/mol.
Where can I buy Mpro inhibitor N3?
You can request a quote for Mpro inhibitor N3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mpro inhibitor N3?
Yes, KEHONG BIO provides custom synthesis services for Mpro inhibitor N3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.