Acnistin A
TL;DR: Acnistin A (CAS 77011-62-2) is a chemical compound with molecular formula C28H38O6 and molecular weight 470.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,7S,9S,15S,16S)-15-hydroxy-15-[(1R,4R,5R,7S)-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 A, (2R,7S,9S,15S,16S)-15-hydroxy-15-[(1R,4R,5R,7S)-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, (8xi,9xi,14xi)-17beta-Hydroxy-17alpha-[(1R,4R,5R,7S)-4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]octan-7-yl]-5beta,6alpha-5,6-epoxyandrost-2-en-1-one, 17-Hydroxy-17-(4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]octan-7-yl)-5,6-epoxyandrost-2-en-1-one, Androst-2-en-1one, 5,16-epoxy-17-hydroxy-17-(4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo(3.2.1)oct-7-yl)-, (5beta,6beta,17beta,17(1R,4R,5R,7S))-
| Molecular Formula | C28H38O6 |
|---|---|
| Molecular Weight | 470.27 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 470.26685 |
| Heavy Atoms | 34 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 77011-62-2 |
|---|---|
| SMILES | C[C@]12CCC3C(C1CC[C@@]2([C@H]4C[C@@]5(C[C@H]4OC(=O)[C@]5(C)O)C)O)C[C@H]6[C@]7([C@@]3(C(=O)C=CC7)C)O6 |
| InChIKey | RNORCGKHUAMBKR-APLCASCJSA-N |
Product Overview
Acnistin A (CAS 77011-62-2), with molecular formula C28H38O6 and molecular weight 470.27 g/mol. IUPAC: (2R,7S,9S,15S,16S)-15-hydroxy-15-[(1R,4R,5R,7S)-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 A
Property Insights of Acnistin A
The XLogP value of 3.1 indicates that Acnistin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Acnistin A. Following Lipinski's Rule of Five, Acnistin A has 2 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 Acnistin A?
The CAS number of Acnistin A is 77011-62-2.
What is the molecular formula of Acnistin A?
The molecular formula of Acnistin A is C28H38O6.
What is the molecular weight of Acnistin A?
The molecular weight of Acnistin A is 470.27 g/mol.
Where can I buy Acnistin A?
You can request a quote for Acnistin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acnistin A?
Yes, KEHONG BIO provides custom synthesis services for Acnistin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.