12-Deoxyphorbol-13-angelate
TL;DR: 12-Deoxyphorbol-13-angelate (CAS 28152-96-7) is a chemical compound with molecular formula C25H34O6 and molecular weight 430.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[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-methylbut-2-enoate
Also Known As: 12-Deoxyphorbol-13-angelate, 5'-DEOXYLAVENDUSTIN, 12-deoxyphorbol-13-tiglate, 12-Deoxyphorbol 13-angelate, 12-Deoxy-phorbol-13-tiglate
| Molecular Formula | C25H34O6 |
|---|---|
| Molecular Weight | 430.24 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.23553 |
| Heavy Atoms | 31 |
| Complexity | 942.0 |
Chemical Identifiers
| CAS Number | 28152-96-7 |
|---|---|
| SMILES | CC=C(C)C(=O)OC12CC(C3(C(C1C2(C)C)C=C(CC4(C3C=C(C4=O)C)O)CO)O)C |
| InChIKey | GFAGCYRBGVCTPP-UHFFFAOYSA-N |
Product Overview
12-Deoxyphorbol-13-angelate (CAS 28152-96-7), with molecular formula C25H34O6 and molecular weight 430.24 g/mol. IUPAC: [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-methylbut-2-enoate.
Chemical Property Profile of 12-Deoxyphorbol-13-angelate
Property Insights of 12-Deoxyphorbol-13-angelate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12-Deoxyphorbol-13-angelate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-Deoxyphorbol-13-angelate. Following Lipinski's Rule of Five, 12-Deoxyphorbol-13-angelate 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-angelate?
The CAS number of 12-Deoxyphorbol-13-angelate is 28152-96-7.
What is the molecular formula of 12-Deoxyphorbol-13-angelate?
The molecular formula of 12-Deoxyphorbol-13-angelate is C25H34O6.
What is the molecular weight of 12-Deoxyphorbol-13-angelate?
The molecular weight of 12-Deoxyphorbol-13-angelate is 430.24 g/mol.
Where can I buy 12-Deoxyphorbol-13-angelate?
You can request a quote for 12-Deoxyphorbol-13-angelate 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-angelate?
Yes, KEHONG BIO provides custom synthesis services for 12-Deoxyphorbol-13-angelate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.