7-oxobrefeldin A
TL;DR: 7-oxobrefeldin A (CAS 62989-90-6) is a chemical compound with molecular formula C16H22O4 and molecular weight 278.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,3E,7S,11E,13S)-2-hydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-diene-5,15-dione
Also Known As: 7-Dehydrobrefeldin A, 7-oxobrefeldin A, 7-Oxo-bfa, 13-Oxobrefeldin A, 13-keto-brefeldin A
| Molecular Formula | C16H22O4 |
|---|---|
| Molecular Weight | 278.15 g/mol |
| LogP | 2.1706 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 278.1518 |
| Heavy Atoms | 20 |
| Complexity | 424.1928 |
Chemical Identifiers
| CAS Number | 62989-90-6 |
|---|---|
| SMILES | C[C@H]1CCC/C=C/[C@@H]2CC(=O)C[C@H]2[C@@H](/C=C/C(=O)O1)O |
Product Overview
7-oxobrefeldin A (CAS 62989-90-6), with molecular formula C16H22O4 and molecular weight 278.15 g/mol. IUPAC: (1R,2R,3E,7S,11E,13S)-2-hydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-diene-5,15-dione.
Chemical Property Profile of 7-oxobrefeldin A
Property Insights of 7-oxobrefeldin A
The XLogP value of 2.1706 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-oxobrefeldin A. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-oxobrefeldin A. Following Lipinski's Rule of Five, 7-oxobrefeldin A has 1 hydrogen bond donor(s) and 4 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 7-oxobrefeldin A?
The CAS number of 7-oxobrefeldin A is 62989-90-6.
What is the molecular formula of 7-oxobrefeldin A?
The molecular formula of 7-oxobrefeldin A is C16H22O4.
What is the molecular weight of 7-oxobrefeldin A?
The molecular weight of 7-oxobrefeldin A is 278.15 g/mol.
Where can I buy 7-oxobrefeldin A?
You can request a quote for 7-oxobrefeldin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-oxobrefeldin A?
Yes, KEHONG BIO provides custom synthesis services for 7-oxobrefeldin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.