Isavuconazonium
TL;DR: Isavuconazonium (CAS 742049-41-8) is a chemical compound with molecular formula C35H35F2N8O5S+ and molecular weight 717.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[1-[1-[(2R,3R)-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-1,2,4-triazol-4-ium-4-yl]ethoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate
Also Known As: Isavuconazonium, Isavuconazonium ion, Cresemba, Isavuconazonium cation, Isavuconazonium [USAN]
| Molecular Formula | C35H35F2N8O5S+ |
|---|---|
| Molecular Weight | 717.24 g/mol |
| LogP | 4.58458 |
| Topological Polar Surface Area | 159.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 13 |
| Exact Mass | 717.24194 |
| Heavy Atoms | 51 |
| Complexity | 2050.0469 |
Chemical Identifiers
| CAS Number | 742049-41-8 |
|---|---|
| SMILES | C[C@@H](C1=NC(=CS1)C2=CC=C(C=C2)C#N)[C@](CN3C=[N+](C=N3)C(C)OC(=O)N(C)C4=C(C=CC=N4)COC(=O)CNC)(C5=C(C=CC(=C5)F)F)O |
Product Overview
Isavuconazonium (CAS 742049-41-8), with molecular formula C35H35F2N8O5S+ and molecular weight 717.24 g/mol. IUPAC: [2-[1-[1-[(2R,3R)-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-1,2,4-triazol-4-ium-4-yl]ethoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate.
Chemical Property Profile of Isavuconazonium
Property Insights of Isavuconazonium
The XLogP value of 4.58458 indicates that Isavuconazonium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.37 Ų indicates high polarity, suggesting Isavuconazonium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isavuconazonium has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isavuconazonium?
The CAS number of Isavuconazonium is 742049-41-8.
What is the molecular formula of Isavuconazonium?
The molecular formula of Isavuconazonium is C35H35F2N8O5S+.
What is the molecular weight of Isavuconazonium?
The molecular weight of Isavuconazonium is 717.24 g/mol.
Where can I buy Isavuconazonium?
You can request a quote for Isavuconazonium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isavuconazonium?
Yes, KEHONG BIO provides custom synthesis services for Isavuconazonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.