12-Deoxyphorbol 13-Isobutyrate
TL;DR: 12-Deoxyphorbol 13-Isobutyrate (CAS 25090-74-8) is a chemical compound with molecular formula C24H34O6 and molecular weight 418.23553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1R,2S,6R,10S,11R,13S,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-methylpropanoate
Also Known As: 12-Deoxyphorbol 13-isobutyrate, 12-DPIB, 12-deoxyphorbol-13-isobutyrate, 12-Desoxyphorbol 13-isobutyrate, ER272
Technical Specifications
| Molecular Formula | C24H34O6 |
| Molecular Weight | 418.23553 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.23553 Da |
| Heavy Atoms | 30 |
| Complexity | 869.0 |
| SMILES | C[C@@H]1C[C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)OC(=O)C(C)C |
| InChIKey | QSTFRCUXCBXJAW-CYZOKXGXSA-N |
Chemical Property Profile of 12-Deoxyphorbol 13-Isobutyrate
Property Insights of 12-Deoxyphorbol 13-Isobutyrate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12-Deoxyphorbol 13-Isobutyrate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-Deoxyphorbol 13-Isobutyrate. Following Lipinski's Rule of Five, 12-Deoxyphorbol 13-Isobutyrate has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 12-Deoxyphorbol 13-Isobutyrate?
The CAS number of 12-Deoxyphorbol 13-Isobutyrate is 25090-74-8.
What is the molecular formula of 12-Deoxyphorbol 13-Isobutyrate?
The molecular formula of 12-Deoxyphorbol 13-Isobutyrate is C24H34O6.
What is the molecular weight of 12-Deoxyphorbol 13-Isobutyrate?
The molecular weight of 12-Deoxyphorbol 13-Isobutyrate is 418.23553 g/mol.
Where can I buy 12-Deoxyphorbol 13-Isobutyrate?
You can request a quote for 12-Deoxyphorbol 13-Isobutyrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 12-Deoxyphorbol 13-Isobutyrate?
Yes, CoreyChem provides custom synthesis services for 12-Deoxyphorbol 13-Isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.