ISOCRASSIN ACETATE
TL;DR: ISOCRASSIN ACETATE (CAS 80375-67-3) 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.
(6-hydroxy-6,10,14-trimethyl-3-methylidene-2-oxo-4,5,7,8,11,12,15,15a-octahydro-3aH-cyclotetradeca[b]furan-5-yl) acetate
Also Known As: ISOCRASSIN ACETATE, (6-hydroxy-6,10,14-trimethyl-3-methylidene-2-oxo-4,5,7,8,11,12,15,15a-octahydro-3aH-cyclotetradeca[b]furan-5-yl) acetate
| Molecular Formula | C22H32O5 |
|---|---|
| Molecular Weight | 376.22 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 376.22498 |
| Heavy Atoms | 27 |
| Complexity | 660.0 |
Chemical Identifiers
| CAS Number | 80375-67-3 |
|---|---|
| SMILES | CC1=CCCC(C(CC2C(CC(=CCC1)C)OC(=O)C2=C)OC(=O)C)(C)O |
| InChIKey | MYSVBLKFHOXPIV-UHFFFAOYSA-N |
Product Overview
ISOCRASSIN ACETATE (CAS 80375-67-3), with molecular formula C22H32O5 and molecular weight 376.22 g/mol. IUPAC: (6-hydroxy-6,10,14-trimethyl-3-methylidene-2-oxo-4,5,7,8,11,12,15,15a-octahydro-3aH-cyclotetradeca[b]furan-5-yl) acetate.
Chemical Property Profile of ISOCRASSIN ACETATE
Property Insights of ISOCRASSIN ACETATE
The XLogP value of 3.2 indicates that ISOCRASSIN ACETATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ISOCRASSIN ACETATE. Following Lipinski's Rule of Five, ISOCRASSIN 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 ISOCRASSIN ACETATE?
The CAS number of ISOCRASSIN ACETATE is 80375-67-3.
What is the molecular formula of ISOCRASSIN ACETATE?
The molecular formula of ISOCRASSIN ACETATE is C22H32O5.
What is the molecular weight of ISOCRASSIN ACETATE?
The molecular weight of ISOCRASSIN ACETATE is 376.22 g/mol.
Where can I buy ISOCRASSIN ACETATE?
You can request a quote for ISOCRASSIN ACETATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ISOCRASSIN ACETATE?
Yes, KEHONG BIO provides custom synthesis services for ISOCRASSIN ACETATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.