Ingenol-3,4:5,20-diacetonide
TL;DR: Ingenol-3,4:5,20-diacetonide (CAS 77573-44-5) is a chemical compound with molecular formula C26H36O5 and molecular weight 428.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6,6,11,11,18,18,21-octamethyl-5,7,10,12-tetraoxahexacyclo[14.5.1.01,8.04,8.09,14.017,19]docosa-2,14-dien-22-one
Also Known As: Ingenol-3,4:5,20-diacetonide, Ingenol-3,4,5,20-diacetonide, -15-one, Ingenol-3,4-5,20-diacetonide, Ingenol-3,4_5,20-diacetonide
| Molecular Formula | C26H36O5 |
|---|---|
| Molecular Weight | 428.26 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 428.2563 |
| Heavy Atoms | 31 |
| Complexity | 941.0 |
Chemical Identifiers
| CAS Number | 77573-44-5 |
|---|---|
| SMILES | CC1CC2C(C2(C)C)C3C=C4COC(OC4C56C1(C3=O)C=C(C5OC(O6)(C)C)C)(C)C |
| InChIKey | JOKBBQPBIIZMJV-UHFFFAOYSA-N |
Product Overview
Ingenol-3,4:5,20-diacetonide (CAS 77573-44-5), with molecular formula C26H36O5 and molecular weight 428.26 g/mol. IUPAC: 3,6,6,11,11,18,18,21-octamethyl-5,7,10,12-tetraoxahexacyclo[14.5.1.01,8.04,8.09,14.017,19]docosa-2,14-dien-22-one.
Chemical Property Profile of Ingenol-3,4:5,20-diacetonide
Property Insights of Ingenol-3,4:5,20-diacetonide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ingenol-3,4:5,20-diacetonide. With a topological polar surface area (TPSA) of 54.0 Ų, Ingenol-3,4:5,20-diacetonide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ingenol-3,4:5,20-diacetonide has 0 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 Ingenol-3,4:5,20-diacetonide?
The CAS number of Ingenol-3,4:5,20-diacetonide is 77573-44-5.
What is the molecular formula of Ingenol-3,4:5,20-diacetonide?
The molecular formula of Ingenol-3,4:5,20-diacetonide is C26H36O5.
What is the molecular weight of Ingenol-3,4:5,20-diacetonide?
The molecular weight of Ingenol-3,4:5,20-diacetonide is 428.26 g/mol.
Where can I buy Ingenol-3,4:5,20-diacetonide?
You can request a quote for Ingenol-3,4:5,20-diacetonide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ingenol-3,4:5,20-diacetonide?
Yes, KEHONG BIO provides custom synthesis services for Ingenol-3,4:5,20-diacetonide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.