Austradiol acetate
TL;DR: Austradiol acetate (CAS 82731-83-7) is a chemical compound with molecular formula C17H29BrO3 and molecular weight 360.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,4aR,5R,8R,8aS)-5-bromo-8-hydroxy-4a,8-dimethyl-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl] acetate
Also Known As: AUSTRADIOL ACETATE, [(1S,2R,4aR,5R,8R,8aS)-5-bromo-8-hydroxy-4a,8-dimethyl-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl] acetate, ((1S,2R,4aR,5R,8R,8aS)-5-bromo-8-hydroxy-4a,8-dimethyl-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl) acetate, (1S,2R,4aR,5R,8R,8aS)-5-Bromo-8-hydroxy-4a,8-dimethyl-2-(propan-2-yl)decahydronaphthalen-1-yl acetate, RefChem:115689
| Molecular Formula | C17H29BrO3 |
|---|---|
| Molecular Weight | 360.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.13 |
| Heavy Atoms | 21 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 82731-83-7 |
|---|---|
| SMILES | CC(C)[C@H]1CC[C@]2([C@@H](CC[C@@]([C@@H]2[C@H]1OC(=O)C)(C)O)Br)C |
| InChIKey | STGVJNXXFGCHPJ-RGGMIXCSSA-N |
Product Overview
Austradiol acetate (CAS 82731-83-7), with molecular formula C17H29BrO3 and molecular weight 360.13 g/mol. IUPAC: [(1S,2R,4aR,5R,8R,8aS)-5-bromo-8-hydroxy-4a,8-dimethyl-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl] acetate.
Chemical Property Profile of Austradiol acetate
Property Insights of Austradiol acetate
The XLogP value of 4.0 indicates that Austradiol acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Austradiol acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Austradiol acetate has 1 hydrogen bond donor(s) and 3 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 Austradiol acetate?
The CAS number of Austradiol acetate is 82731-83-7.
What is the molecular formula of Austradiol acetate?
The molecular formula of Austradiol acetate is C17H29BrO3.
What is the molecular weight of Austradiol acetate?
The molecular weight of Austradiol acetate is 360.13 g/mol.
Where can I buy Austradiol acetate?
You can request a quote for Austradiol acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Austradiol acetate?
Yes, KEHONG BIO provides custom synthesis services for Austradiol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.