12-Deoxyphorbol-13-(2-methylbutyrate)
TL;DR: 12-Deoxyphorbol-13-(2-methylbutyrate) (CAS 33871-88-4) is a chemical compound with molecular formula C25H36O6 and molecular weight 432.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(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-methylbutanoate
Also Known As: 12-Deoxyphorbol-13-(2-methylbutyrate), KST-1A3948, 12-Deoxy-phorbol-13-alpha-methylbutyrate, 12-Deoxyphorbol-13alpha-methylbutyrate, 12-Desoxyphorbol 13-alpha-methylbutyrate
| Molecular Formula | C25H36O6 |
|---|---|
| Molecular Weight | 432.25 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.2512 |
| Heavy Atoms | 31 |
| Complexity | 886.0 |
Chemical Identifiers
| CAS Number | 33871-88-4 |
|---|---|
| SMILES | CCC(C)C(=O)O[C@@]12C[C@H]([C@]3([C@H]([C@@H]1C2(C)C)C=C(C[C@]4([C@H]3C=C(C4=O)C)O)CO)O)C |
| InChIKey | UTWPUNYNNNYPEZ-ABNKIXKLSA-N |
Product Overview
12-Deoxyphorbol-13-(2-methylbutyrate) (CAS 33871-88-4), with molecular formula C25H36O6 and molecular weight 432.25 g/mol. IUPAC: [(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-methylbutanoate.
Chemical Property Profile of 12-Deoxyphorbol-13-(2-methylbutyrate)
Property Insights of 12-Deoxyphorbol-13-(2-methylbutyrate)
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12-Deoxyphorbol-13-(2-methylbutyrate). The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-Deoxyphorbol-13-(2-methylbutyrate). Following Lipinski's Rule of Five, 12-Deoxyphorbol-13-(2-methylbutyrate) 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
Frequently Asked Questions
What is the CAS number of 12-Deoxyphorbol-13-(2-methylbutyrate)?
The CAS number of 12-Deoxyphorbol-13-(2-methylbutyrate) is 33871-88-4.
What is the molecular formula of 12-Deoxyphorbol-13-(2-methylbutyrate)?
The molecular formula of 12-Deoxyphorbol-13-(2-methylbutyrate) is C25H36O6.
What is the molecular weight of 12-Deoxyphorbol-13-(2-methylbutyrate)?
The molecular weight of 12-Deoxyphorbol-13-(2-methylbutyrate) is 432.25 g/mol.
Where can I buy 12-Deoxyphorbol-13-(2-methylbutyrate)?
You can request a quote for 12-Deoxyphorbol-13-(2-methylbutyrate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Deoxyphorbol-13-(2-methylbutyrate)?
Yes, KEHONG BIO provides custom synthesis services for 12-Deoxyphorbol-13-(2-methylbutyrate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.