E,E'-3,3':8,8'-Diligustilide
TL;DR: E,E'-3,3':8,8'-Diligustilide (CAS 90826-58-7) 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.
Also Known As: Angelicolide, E,E'-3,3':8,8'-Diligustilide, E,E'-3.3',8.8'-diligustilide, rel-(1R,1a(2)a(2)R,3a(2)R,4a(2)R)-6,6a(2)a(2),7,7a(2)a(2)-Tetrahydro-3a(2),4a(2)-dipropyldispiro[isobenzofuran-1(3H),1a(2)-cyclobutane-2a(2),1a(2)a(2)(3a(2)a(2)H)-isobenzofuran]-3,3a(2)a(2)-dione
| Molecular Formula | C24H28O4 |
|---|---|
| Molecular Weight | 380.20 g/mol |
| LogP | 4.4 |
| 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 | 801.0 |
Chemical Identifiers
| CAS Number | 90826-58-7 |
|---|---|
| SMILES | CCC[C@H]1[C@@H]([C@@]2([C@@]13C4=C(C=CCC4)C(=O)O3)C5=C(C=CCC5)C(=O)O2)CCC |
| InChIKey | LSDFCPDLBLFHAT-UWXQAFAOSA-N |
Product Overview
E,E'-3,3':8,8'-Diligustilide (CAS 90826-58-7), with molecular formula C24H28O4 and molecular weight 380.20 g/mol.
Chemical Property Profile of E,E'-3,3':8,8'-Diligustilide
Property Insights of E,E'-3,3':8,8'-Diligustilide
The XLogP value of 4.4 indicates that E,E'-3,3':8,8'-Diligustilide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, E,E'-3,3':8,8'-Diligustilide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, E,E'-3,3':8,8'-Diligustilide 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 E,E'-3,3':8,8'-Diligustilide?
The CAS number of E,E'-3,3':8,8'-Diligustilide is 90826-58-7.
What is the molecular formula of E,E'-3,3':8,8'-Diligustilide?
The molecular formula of E,E'-3,3':8,8'-Diligustilide is C24H28O4.
What is the molecular weight of E,E'-3,3':8,8'-Diligustilide?
The molecular weight of E,E'-3,3':8,8'-Diligustilide is 380.20 g/mol.
Where can I buy E,E'-3,3':8,8'-Diligustilide?
You can request a quote for E,E'-3,3':8,8'-Diligustilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for E,E'-3,3':8,8'-Diligustilide?
Yes, KEHONG BIO provides custom synthesis services for E,E'-3,3':8,8'-Diligustilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.