Ingenol-5,20-acetonide
TL;DR: Ingenol-5,20-acetonide (CAS 77573-43-4) is a chemical compound with molecular formula C23H32O5 and molecular weight 388.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dihydroxy-3,8,8,15,15,18-hexamethyl-7,9-dioxapentacyclo[11.5.1.01,5.06,11.014,16]nonadeca-2,11-dien-19-one
Also Known As: Ingenol-5,20-acetonide, Ingenol-5,20-acetonide [M+H]+, (1S,4S,6R,13S,14R,16R,18R)-4,5-Dihydroxy-3,8,8,15,15,18-hexamethyl-7,9-dioxapentacyclo[11.5.1.01,5.06,11.014,16]nonadeca-2,11-dien-19-one, 7H-6,9a-Methano-4H-cyclopenta[9,10]cyclopropa[5,6]cyclodeca[1,2-d]-1,3-dioxin-13-one, 6,6a,7a,8,9,12,12a,12b-octahydro-12,12a-dihydroxy-2,2,7,7,9,11-hexamethyl-, [6R-(6.alpha.,6a.alpha.,7a.alpha.,9.alpha.,9a.alpha.,12.beta.,12a.beta.,12b.alpha.)]-
| Molecular Formula | C23H32O5 |
|---|---|
| Molecular Weight | 388.22 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 388.22498 |
| Heavy Atoms | 28 |
| Complexity | 823.0 |
Chemical Identifiers
| CAS Number | 77573-43-4 |
|---|---|
| SMILES | CC1CC2C(C2(C)C)C3C=C4COC(OC4C5(C1(C3=O)C=C(C5O)C)O)(C)C |
| InChIKey | ONMDPPVVEFWDOD-UHFFFAOYSA-N |
Product Overview
Ingenol-5,20-acetonide (CAS 77573-43-4), with molecular formula C23H32O5 and molecular weight 388.22 g/mol. IUPAC: 4,5-dihydroxy-3,8,8,15,15,18-hexamethyl-7,9-dioxapentacyclo[11.5.1.01,5.06,11.014,16]nonadeca-2,11-dien-19-one.
Chemical Property Profile of Ingenol-5,20-acetonide
Property Insights of Ingenol-5,20-acetonide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ingenol-5,20-acetonide. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ingenol-5,20-acetonide. Following Lipinski's Rule of Five, Ingenol-5,20-acetonide has 2 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-5,20-acetonide?
The CAS number of Ingenol-5,20-acetonide is 77573-43-4.
What is the molecular formula of Ingenol-5,20-acetonide?
The molecular formula of Ingenol-5,20-acetonide is C23H32O5.
What is the molecular weight of Ingenol-5,20-acetonide?
The molecular weight of Ingenol-5,20-acetonide is 388.22 g/mol.
Where can I buy Ingenol-5,20-acetonide?
You can request a quote for Ingenol-5,20-acetonide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ingenol-5,20-acetonide?
Yes, KEHONG BIO provides custom synthesis services for Ingenol-5,20-acetonide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.