imocitrelvir
TL;DR: imocitrelvir (CAS 343565-99-1) is a chemical compound with molecular formula C26H29N5O7 and molecular weight 523.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E,4S)-4-[[(2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]pent-4-ynoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Also Known As: imocitrelvir, imocitrelvir [INN], AG 7404, EX-A15131, V-7404
| Molecular Formula | C26H29N5O7 |
|---|---|
| Molecular Weight | 523.21 g/mol |
| LogP | 1.09172 |
| Topological Polar Surface Area | 161.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 523.2067 |
| Heavy Atoms | 38 |
| Complexity | 1319.7247 |
Chemical Identifiers
| CAS Number | 343565-99-1 |
|---|---|
| SMILES | CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC#C)N2C=CC=C(C2=O)NC(=O)C3=NOC(=C3)C |
Product Overview
imocitrelvir (CAS 343565-99-1), with molecular formula C26H29N5O7 and molecular weight 523.21 g/mol. IUPAC: ethyl (E,4S)-4-[[(2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]pent-4-ynoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate.
Chemical Property Profile of imocitrelvir
Property Insights of imocitrelvir
The XLogP value of 1.09172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for imocitrelvir. The TPSA of 161.63 Ų indicates high polarity, suggesting imocitrelvir may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, imocitrelvir 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 imocitrelvir?
The CAS number of imocitrelvir is 343565-99-1.
What is the molecular formula of imocitrelvir?
The molecular formula of imocitrelvir is C26H29N5O7.
What is the molecular weight of imocitrelvir?
The molecular weight of imocitrelvir is 523.21 g/mol.
Where can I buy imocitrelvir?
You can request a quote for imocitrelvir directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for imocitrelvir?
Yes, KEHONG BIO provides custom synthesis services for imocitrelvir and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.