Crassin, acetate
TL;DR: Crassin, acetate (CAS 28028-68-4) is a chemical compound with molecular formula C22H32O5 and molecular weight 376.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4E,8Z)-12-hydroxy-4,8,12-trimethyl-16-methylidene-15-oxo-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-2-yl] acetate
Also Known As: Crassin acetate, CRASSIN, ACETATE, [(4E,8Z)-12-hydroxy-4,8,12-trimethyl-16-methylidene-15-oxo-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-2-yl] acetate, 14-Oxabicyclo[11.3.1]heptadeca-4, 2-(acetyloxy)-12-hydroxy-4,8,12-trimethyl-16- methylene-, [1S-(1R*,2R*,4Z,8Z,12S*,13R*)]-, 14-Oxabicyclo[11.3.1]heptadeca-4, 2-(acetyloxy)-12-hydroxy-4,8,12-trimethyl-16-methylene-, [1S(1R*,2R*,4Z,8Z,12S*,13R*)]-
| Molecular Formula | C22H32O5 |
|---|---|
| Molecular Weight | 376.22 g/mol |
| LogP | 4.0137 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 376.22498 |
| Heavy Atoms | 27 |
| Complexity | 655.61426 |
Chemical Identifiers
| CAS Number | 28028-68-4 |
|---|---|
| SMILES | C/C/1=C/CCC(C2CC(C(C/C(=C/CC1)/C)OC(=O)C)C(=C)C(=O)O2)(C)O |
Product Overview
Crassin, acetate (CAS 28028-68-4), with molecular formula C22H32O5 and molecular weight 376.22 g/mol. IUPAC: [(4E,8Z)-12-hydroxy-4,8,12-trimethyl-16-methylidene-15-oxo-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-2-yl] acetate.
Chemical Property Profile of Crassin, acetate
Property Insights of Crassin, acetate
The XLogP value of 4.0137 indicates that Crassin, acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Crassin, acetate. Following Lipinski's Rule of Five, Crassin, acetate has 1 hydrogen bond donor(s) and 5 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 Crassin, acetate?
The CAS number of Crassin, acetate is 28028-68-4.
What is the molecular formula of Crassin, acetate?
The molecular formula of Crassin, acetate is C22H32O5.
What is the molecular weight of Crassin, acetate?
The molecular weight of Crassin, acetate is 376.22 g/mol.
Where can I buy Crassin, acetate?
You can request a quote for Crassin, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crassin, acetate?
Yes, KEHONG BIO provides custom synthesis services for Crassin, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.