alpha-Amyrin acetate
TL;DR: alpha-Amyrin acetate (CAS 863-76-3) 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,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
Also Known As: alpha-Amyrin acetate, Amyrin acetate, A-amyrin acetate, alpha-Amyrenyl acetate, -myrin 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 | 863-76-3 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C |
| InChIKey | UDXDFWBZZQHDRO-NSTYLNEOSA-N |
Product Overview
alpha-Amyrin acetate (CAS 863-76-3), with molecular formula C32H52O2 and molecular weight 468.40 g/mol. IUPAC: [(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate.
Chemical Property Profile of alpha-Amyrin acetate
Property Insights of alpha-Amyrin acetate
The XLogP value of 9.6 indicates that alpha-Amyrin 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, alpha-Amyrin acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Amyrin 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 alpha-Amyrin acetate?
The CAS number of alpha-Amyrin acetate is 863-76-3.
What is the molecular formula of alpha-Amyrin acetate?
The molecular formula of alpha-Amyrin acetate is C32H52O2.
What is the molecular weight of alpha-Amyrin acetate?
The molecular weight of alpha-Amyrin acetate is 468.40 g/mol.
Where can I buy alpha-Amyrin acetate?
You can request a quote for alpha-Amyrin acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Amyrin acetate?
Yes, KEHONG BIO provides custom synthesis services for alpha-Amyrin acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.