Acnistin E
TL;DR: Acnistin E (CAS 76994-39-3) is a chemical compound with molecular formula C28H38O7 and molecular weight 486.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,6S,7R,9R,11S,12S,15R,16S)-6,15-dihydroxy-15-[(1S,4R,5S)-4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]octan-7-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
Also Known As: Acnistin E, Acnistin-E, KST-1A8366, (4S,4aR,5aR,6aS,6bS,9R,9aS,11aS,11bR)-, (1S,2R,6S,7R,9R,11S,12S,15R,16S)-6,15-dihydroxy-15-[(1S,4R,5S)-4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]octan-7-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
| Molecular Formula | C28H38O7 |
|---|---|
| Molecular Weight | 486.26 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 486.26175 |
| Heavy Atoms | 35 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 76994-39-3 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C4C[C@]5(C[C@@H]4OC(=O)[C@]5(C)O)C)O)C[C@@H]6[C@]7([C@@]3(C(=O)C=C[C@@H]7O)C)O6 |
| InChIKey | FKQUQCYOBZEPTK-LOBFLEJSSA-N |
Product Overview
Acnistin E (CAS 76994-39-3), with molecular formula C28H38O7 and molecular weight 486.26 g/mol. IUPAC: (1S,2R,6S,7R,9R,11S,12S,15R,16S)-6,15-dihydroxy-15-[(1S,4R,5S)-4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]octan-7-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one.
Chemical Property Profile of Acnistin E
Property Insights of Acnistin E
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acnistin E. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acnistin E. Following Lipinski's Rule of Five, Acnistin E has 3 hydrogen bond donor(s) and 7 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 Acnistin E?
The CAS number of Acnistin E is 76994-39-3.
What is the molecular formula of Acnistin E?
The molecular formula of Acnistin E is C28H38O7.
What is the molecular weight of Acnistin E?
The molecular weight of Acnistin E is 486.26 g/mol.
Where can I buy Acnistin E?
You can request a quote for Acnistin E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acnistin E?
Yes, KEHONG BIO provides custom synthesis services for Acnistin E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.