Ingenol-3-propionate-20-isobutyrate
TL;DR: Ingenol-3-propionate-20-isobutyrate (CAS 74690-92-9) is a chemical compound with molecular formula C27H38O7 and molecular weight 474.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxo-4-propanoyloxy-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl)methyl 2-methylpropanoate
Also Known As: Ingenol-pib, 20-O-Isobutyryl-3-O-propionylingenol, Ingenol-3-propionate-20-isobutyrate, (5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxo-4-propanoyloxy-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl)methyl 2-methylpropanoate, (5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxo-4-propanoyloxy-7-tetracyclo(7.5.1.01,5.010,12)pentadeca-2,7-dienyl)methyl 2-methylpropanoate
| Molecular Formula | C27H38O7 |
|---|---|
| Molecular Weight | 474.26 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 474.26175 |
| Heavy Atoms | 34 |
| Complexity | 975.0 |
Chemical Identifiers
| CAS Number | 74690-92-9 |
|---|---|
| SMILES | CCC(=O)OC1C(=CC23C1(C(C(=CC(C2=O)C4C(C4(C)C)CC3C)COC(=O)C(C)C)O)O)C |
| InChIKey | JKKMLPTVKDIBRS-UHFFFAOYSA-N |
Product Overview
Ingenol-3-propionate-20-isobutyrate (CAS 74690-92-9), with molecular formula C27H38O7 and molecular weight 474.26 g/mol. IUPAC: (5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxo-4-propanoyloxy-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl)methyl 2-methylpropanoate.
Chemical Property Profile of Ingenol-3-propionate-20-isobutyrate
Property Insights of Ingenol-3-propionate-20-isobutyrate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ingenol-3-propionate-20-isobutyrate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ingenol-3-propionate-20-isobutyrate. Following Lipinski's Rule of Five, Ingenol-3-propionate-20-isobutyrate has 2 hydrogen bond donor(s) and 7 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-propionate-20-isobutyrate?
The CAS number of Ingenol-3-propionate-20-isobutyrate is 74690-92-9.
What is the molecular formula of Ingenol-3-propionate-20-isobutyrate?
The molecular formula of Ingenol-3-propionate-20-isobutyrate is C27H38O7.
What is the molecular weight of Ingenol-3-propionate-20-isobutyrate?
The molecular weight of Ingenol-3-propionate-20-isobutyrate is 474.26 g/mol.
Where can I buy Ingenol-3-propionate-20-isobutyrate?
You can request a quote for Ingenol-3-propionate-20-isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ingenol-3-propionate-20-isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Ingenol-3-propionate-20-isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.