Calotropenyl acetate
TL;DR: Calotropenyl acetate (CAS 138349-56-1) is a chemical compound with molecular formula C32H52O2 and molecular weight 468.39673 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3S,6aR,6aR,6bR,8aR,11R,12aR,14aR,14bR)-4,4,6a,6b,8a,11,14b-heptamethyl-12-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,11,12a,13,14,14a-hexadecahydropicen-3-yl] acetate
Also Known As: Calotropenyl acetate, Urs-19(29)-en-3-yl acetate, KST-1A1234, Urs-19(29)-en-3-ol, acetate, (3beta)-, (3
Technical Specifications
| Molecular Formula | C32H52O2 |
| Molecular Weight | 468.39673 g/mol |
| XLogP | 9.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 468.39673 Da |
| Heavy Atoms | 34 |
| Complexity | 872.0 |
| SMILES | C[C@@H]1CC[C@@]2(CC[C@@]3([C@@H]([C@H]2C1=C)CC[C@H]4[C@]3(CCC5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)C)C |
| InChIKey | OEKBQFGXHADTCO-JWTKACPUSA-N |
Chemical Property Profile of Calotropenyl acetate
Property Insights of Calotropenyl acetate
The XLogP value of 9.8 indicates that Calotropenyl 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, Calotropenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Calotropenyl acetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Calotropenyl acetate?
The CAS number of Calotropenyl acetate is 138349-56-1.
What is the molecular formula of Calotropenyl acetate?
The molecular formula of Calotropenyl acetate is C32H52O2.
What is the molecular weight of Calotropenyl acetate?
The molecular weight of Calotropenyl acetate is 468.39673 g/mol.
Where can I buy Calotropenyl acetate?
You can request a quote for Calotropenyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Calotropenyl acetate?
Yes, CoreyChem provides custom synthesis services for Calotropenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.