Bauerenyl acetate
TL;DR: Bauerenyl acetate (CAS 17020-27-8) is a chemical compound with molecular formula C32H52O2 and molecular weight 468.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,4aR,6aS,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl] acetate
Also Known As: Bauerenol acetate, Bauerenyl acetate, Bauerel acetate, Ilexol acetate, baurenyl acetate
| Molecular Formula | C32H52O2 |
|---|---|
| Molecular Weight | 468.40 g/mol |
| LogP | 9.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 468.39673 |
| Heavy Atoms | 34 |
| Complexity | 885.0 |
Chemical Identifiers
| CAS Number | 17020-27-8 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2(CC[C@@]3(C4=CC[C@@H]5[C@@]([C@H]4CC[C@]3([C@@H]2[C@H]1C)C)(CC[C@@H](C5(C)C)OC(=O)C)C)C)C |
| InChIKey | DTHUXXMWYWKQKX-QXZXTIJDSA-N |
Product Overview
Bauerenyl acetate (CAS 17020-27-8), with molecular formula C32H52O2 and molecular weight 468.40 g/mol. IUPAC: [(3S,4aR,6aS,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl] acetate.
Chemical Property Profile of Bauerenyl acetate
Property Insights of Bauerenyl acetate
The XLogP value of 9.6 indicates that Bauerenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Bauerenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bauerenyl acetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bauerenyl acetate?
The CAS number of Bauerenyl acetate is 17020-27-8.
What is the molecular formula of Bauerenyl acetate?
The molecular formula of Bauerenyl acetate is C32H52O2.
What is the molecular weight of Bauerenyl acetate?
The molecular weight of Bauerenyl acetate is 468.40 g/mol.
Where can I buy Bauerenyl acetate?
You can request a quote for Bauerenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bauerenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Bauerenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.