Angelicide
TL;DR: Angelicide (CAS 92935-94-9) is a chemical compound with molecular formula C24H28O4 and molecular weight 380.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3'Z)-3'-butylidene-6'-propylspiro[4,5-dihydro-2-benzofuran-3,7'-5,5a,6,7a-tetrahydro-4H-cyclobuta[g][2]benzofuran]-1,1'-dione
Also Known As: Angelicide, (Z)-6,8,7,3-diligustilide, Z-6,8',7,3'-diligustilide, Z,Z'-6.8'7.3'-diligustilide, HY-N6242
| Molecular Formula | C24H28O4 |
|---|---|
| Molecular Weight | 380.20 g/mol |
| LogP | 4.9221 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.19876 |
| Heavy Atoms | 28 |
| Complexity | 871.036 |
Chemical Identifiers
| CAS Number | 92935-94-9 |
|---|---|
| SMILES | CCC/C=C\1/C2=C(C3C(CC2)C(C34C5=C(C=CCC5)C(=O)O4)CCC)C(=O)O1 |
Product Overview
Angelicide (CAS 92935-94-9), with molecular formula C24H28O4 and molecular weight 380.20 g/mol. IUPAC: (3'Z)-3'-butylidene-6'-propylspiro[4,5-dihydro-2-benzofuran-3,7'-5,5a,6,7a-tetrahydro-4H-cyclobuta[g][2]benzofuran]-1,1'-dione.
Chemical Property Profile of Angelicide
Property Insights of Angelicide
The XLogP value of 4.9221 indicates that Angelicide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Angelicide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Angelicide has 0 hydrogen bond donor(s) and 4 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 Angelicide?
The CAS number of Angelicide is 92935-94-9.
What is the molecular formula of Angelicide?
The molecular formula of Angelicide is C24H28O4.
What is the molecular weight of Angelicide?
The molecular weight of Angelicide is 380.20 g/mol.
Where can I buy Angelicide?
You can request a quote for Angelicide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Angelicide?
Yes, KEHONG BIO provides custom synthesis services for Angelicide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.