Involucrin
TL;DR: Involucrin (CAS 60108-77-2) is a chemical compound with molecular formula C27H38O8 and molecular weight 490.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6Z)-4-acetyloxy-6,10-dimethyl-3-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-yl] 3,4,5-trimethoxybenzoate
Also Known As: Involucrin, [(6Z)-4-acetyloxy-6,10-dimethyl-3-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-yl] 3,4,5-trimethoxybenzoate, Benzoic acid, 3,4,5-trimethoxy-, 4-(acetyloxy)-6,10-dimethyl-3-(1-methylethyl)-11-oxabicyclo(8.1.0)undec-6-en-2-yl ester, ((6Z)-4-acetyloxy-6,10-dimethyl-3-propan-2-yl-11-oxabicyclo(8.1.0)undec-6-en-2-yl) 3,4,5-trimethoxybenzoate, RefChem:148472
| Molecular Formula | C27H38O8 |
|---|---|
| Molecular Weight | 490.26 g/mol |
| LogP | 4.7294 |
| Topological Polar Surface Area | 92.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 490.25668 |
| Heavy Atoms | 35 |
| Complexity | 942.9231 |
Chemical Identifiers
| CAS Number | 60108-77-2 |
|---|---|
| SMILES | C/C/1=C/CCC2(C(O2)C(C(C(C1)OC(=O)C)C(C)C)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C |
Product Overview
Involucrin (CAS 60108-77-2), with molecular formula C27H38O8 and molecular weight 490.26 g/mol. IUPAC: [(6Z)-4-acetyloxy-6,10-dimethyl-3-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-yl] 3,4,5-trimethoxybenzoate.
Chemical Property Profile of Involucrin
Property Insights of Involucrin
The XLogP value of 4.7294 indicates that Involucrin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.82 Ų falls within the moderate polarity range, balancing permeability and solubility for Involucrin. Following Lipinski's Rule of Five, Involucrin has 0 hydrogen bond donor(s) and 8 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 Involucrin?
The CAS number of Involucrin is 60108-77-2.
What is the molecular formula of Involucrin?
The molecular formula of Involucrin is C27H38O8.
What is the molecular weight of Involucrin?
The molecular weight of Involucrin is 490.26 g/mol.
Where can I buy Involucrin?
You can request a quote for Involucrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Involucrin?
Yes, KEHONG BIO provides custom synthesis services for Involucrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.