MI 658
TL;DR: MI 658 (CAS 90146-07-9) is a chemical compound with molecular formula C13H13N3O4 and molecular weight 275.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
MI 658
[(1S,2R,4R)-2-azido-4-hydroxy-6-oxocyclohexyl] benzoate
Also Known As: MI 658, (1s,2r,4r)-2-azido-4-hydroxy-6-oxocyclohexyl benzoate, P.I. 658, 3-Azido-2-benzoyloxy-5-hydroxycyclohexanone, KST-1A9143
| Molecular Formula | C13H13N3O4 |
|---|---|
| Molecular Weight | 275.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 78.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.0906 |
| Heavy Atoms | 20 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 90146-07-9 |
|---|---|
| SMILES | C1[C@H](CC(=O)[C@H]([C@@H]1N=[N+]=[N-])OC(=O)C2=CC=CC=C2)O |
| InChIKey | QETWIHYFLBMVCZ-FOGDFJRCSA-N |
Product Overview
MI 658 (CAS 90146-07-9), with molecular formula C13H13N3O4 and molecular weight 275.09 g/mol. IUPAC: [(1S,2R,4R)-2-azido-4-hydroxy-6-oxocyclohexyl] benzoate.
Chemical Property Profile of MI 658
Property Insights of MI 658
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for MI 658. The TPSA of 78.0 Ų falls within the moderate polarity range, balancing permeability and solubility for MI 658. Following Lipinski's Rule of Five, MI 658 has 1 hydrogen bond donor(s) and 6 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 MI 658?
The CAS number of MI 658 is 90146-07-9.
What is the molecular formula of MI 658?
The molecular formula of MI 658 is C13H13N3O4.
What is the molecular weight of MI 658?
The molecular weight of MI 658 is 275.09 g/mol.
Where can I buy MI 658?
You can request a quote for MI 658 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MI 658?
Yes, KEHONG BIO provides custom synthesis services for MI 658 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.