芦平曲韦
TL;DR: 芦平曲韦 (CAS 223537-30-2) is a chemical compound with molecular formula C31H39FN4O7 and molecular weight 598.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
芦平曲韦
ethyl (4S)-4-[[(2R,5S)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-oxoheptanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Also Known As: Rupintrivir
| Molecular Formula | C31H39FN4O7 |
|---|---|
| Molecular Weight | 598.28 g/mol |
| LogP | 2.82492 |
| Topological Polar Surface Area | 156.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 598.2803 |
| Heavy Atoms | 43 |
| Complexity | 1321.6433 |
Chemical Identifiers
| CAS Number | 223537-30-2 |
|---|---|
| SMILES | CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC2=CC=C(C=C2)F)CC(=O)[C@H](C(C)C)NC(=O)C3=NOC(=C3)C |
Product Overview
芦平曲韦 (CAS 223537-30-2), with molecular formula C31H39FN4O7 and molecular weight 598.28 g/mol. IUPAC: ethyl (4S)-4-[[(2R,5S)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-oxoheptanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate.
Chemical Property Profile of 芦平曲韦
Property Insights of 芦平曲韦
The XLogP value of 2.82492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 芦平曲韦. The TPSA of 156.7 Ų indicates high polarity, suggesting 芦平曲韦 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 芦平曲韦 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 芦平曲韦?
The CAS number of 芦平曲韦 is 223537-30-2.
What is the molecular formula of 芦平曲韦?
The molecular formula of 芦平曲韦 is C31H39FN4O7.
What is the molecular weight of 芦平曲韦?
The molecular weight of 芦平曲韦 is 598.28 g/mol.
Where can I buy 芦平曲韦?
You can request a quote for 芦平曲韦 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 芦平曲韦?
Yes, KEHONG BIO provides custom synthesis services for 芦平曲韦 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.