KST-1B5389
TL;DR: KST-1B5389 (CAS 5465-81-6) is a chemical compound with molecular formula C9H9F7O3 and molecular weight 298.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: KST-1B5389, 5-19-09-00136 (Beilstein Handbook Reference), Orthobutyric acid, heptafluoro-, cyclic ester with 2-(hydroxymethyl)-2-methyl-1,3-propanediol (1:1), 1-(heptafluoropropyl)-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane, 1-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane
| Molecular Formula | C9H9F7O3 |
|---|---|
| Molecular Weight | 298.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.044 |
| Heavy Atoms | 19 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 5465-81-6 |
|---|---|
| SMILES | CC12COC(OC1)(OC2)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | WEIYHBVATQQFOK-UHFFFAOYSA-N |
Product Overview
KST-1B5389 (CAS 5465-81-6), with molecular formula C9H9F7O3 and molecular weight 298.04 g/mol. IUPAC: 1-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of KST-1B5389
Property Insights of KST-1B5389
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1B5389. With a topological polar surface area (TPSA) of 27.7 Ų, KST-1B5389 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KST-1B5389 has 0 hydrogen bond donor(s) and 10 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 KST-1B5389?
The CAS number of KST-1B5389 is 5465-81-6.
What is the molecular formula of KST-1B5389?
The molecular formula of KST-1B5389 is C9H9F7O3.
What is the molecular weight of KST-1B5389?
The molecular weight of KST-1B5389 is 298.04 g/mol.
Where can I buy KST-1B5389?
You can request a quote for KST-1B5389 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B5389?
Yes, KEHONG BIO provides custom synthesis services for KST-1B5389 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.