Isobauerenyl acetate
TL;DR: Isobauerenyl acetate (CAS 18541-62-3) 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,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,13,14-tetradecahydro-1H-picen-3-yl] acetate
Also Known As: Isobauerenyl acetate, Isobauerenol, acetate, 2,6-Dibenzoyl-hydrochinon, Isobauerenol (8-bauerenol) acetate, D:C-Friedours-8-en-3beta-ol acetate
| Molecular Formula | C32H52O2 |
|---|---|
| Molecular Weight | 468.40 g/mol |
| LogP | 9.3 |
| 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 | 899.0 |
Chemical Identifiers
| CAS Number | 18541-62-3 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2(CC[C@@]3(C4=C(CC[C@]3([C@@H]2[C@H]1C)C)[C@]5(CC[C@@H](C([C@@H]5CC4)(C)C)OC(=O)C)C)C)C |
| InChIKey | GXGXUGKOSZFXNS-AULXUAOGSA-N |
Product Overview
Isobauerenyl acetate (CAS 18541-62-3), with molecular formula C32H52O2 and molecular weight 468.40 g/mol. IUPAC: [(3S,4aR,6aS,6bS,8aR,11R,12S,12aR,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,13,14-tetradecahydro-1H-picen-3-yl] acetate.
Chemical Property Profile of Isobauerenyl acetate
Property Insights of Isobauerenyl acetate
The XLogP value of 9.3 indicates that Isobauerenyl 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, Isobauerenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobauerenyl 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 Isobauerenyl acetate?
The CAS number of Isobauerenyl acetate is 18541-62-3.
What is the molecular formula of Isobauerenyl acetate?
The molecular formula of Isobauerenyl acetate is C32H52O2.
What is the molecular weight of Isobauerenyl acetate?
The molecular weight of Isobauerenyl acetate is 468.40 g/mol.
Where can I buy Isobauerenyl acetate?
You can request a quote for Isobauerenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobauerenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Isobauerenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.