12-Deoxyphorbolphenylacetate
TL;DR: 12-Deoxyphorbolphenylacetate (CAS 58821-98-0) is a chemical compound with molecular formula C28H34O6 and molecular weight 466.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2S,6R,10S,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-phenylacetate
Also Known As: 12-Deoxyphorbolphenylacetate, 9a-phenylacetate, 12-Deoxyphorbol 13-phenylacetate, 12-Deoxyphorbol-13-phenylacetate, 12-DOPPA
| Molecular Formula | C28H34O6 |
|---|---|
| Molecular Weight | 466.24 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 466.23553 |
| Heavy Atoms | 34 |
| Complexity | 958.0 |
Chemical Identifiers
| CAS Number | 58821-98-0 |
|---|---|
| SMILES | C[C@@H]1C[C@@]2(C(C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)OC(=O)CC5=CC=CC=C5 |
| InChIKey | JAMGGIDPOXFRAM-RFYIAXDNSA-N |
Product Overview
12-Deoxyphorbolphenylacetate (CAS 58821-98-0), with molecular formula C28H34O6 and molecular weight 466.24 g/mol. IUPAC: [(1R,2S,6R,10S,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-phenylacetate.
Chemical Property Profile of 12-Deoxyphorbolphenylacetate
Property Insights of 12-Deoxyphorbolphenylacetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12-Deoxyphorbolphenylacetate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-Deoxyphorbolphenylacetate. Following Lipinski's Rule of Five, 12-Deoxyphorbolphenylacetate 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-Deoxyphorbolphenylacetate?
The CAS number of 12-Deoxyphorbolphenylacetate is 58821-98-0.
What is the molecular formula of 12-Deoxyphorbolphenylacetate?
The molecular formula of 12-Deoxyphorbolphenylacetate is C28H34O6.
What is the molecular weight of 12-Deoxyphorbolphenylacetate?
The molecular weight of 12-Deoxyphorbolphenylacetate is 466.24 g/mol.
Where can I buy 12-Deoxyphorbolphenylacetate?
You can request a quote for 12-Deoxyphorbolphenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Deoxyphorbolphenylacetate?
Yes, KEHONG BIO provides custom synthesis services for 12-Deoxyphorbolphenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.