Phorboxazole A
TL;DR: Phorboxazole A (CAS 165883-76-1) is a chemical compound with molecular formula C53H71BrN2O13 and molecular weight 1022.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,6Z,11R,12R,16E,19S,23R,25S,27R,31R)-11-[(E)-1-[2-[[(2S,4R,6R)-6-[(1R,2E,4E,6R,8E)-9-bromo-1-hydroxy-6-methoxy-3-methylnona-2,4,8-trienyl]-2-hydroxy-4-methoxyoxan-2-yl]methyl]-1,3-oxazol-4-yl]prop-1-en-2-yl]-27-hydroxy-12,31-dimethyl-21-methylidene-4,10,14,29,30-pentaoxa-32-azapentacyclo[23.3.1.12,5.19,13.119,23]dotriaconta-2,5(32),6,16-tetraen-15-one
Also Known As: Phorboxazole A, Phorboxazole B, phorbol 12,13-dinonanoate 20 homovanillate, (1R,6Z,11R,12R,16E,19S,23R,25S,27R,31R)-11-[(E)-1-[2-[[(2S,4R,6R)-6-[(1R,2E,4E,6R,8E)-9-bromo-1-hydroxy-6-methoxy-3-methylnona-2,4,8-trienyl]-2-hydroxy-4-methoxyoxan-2-yl]methyl]-1,3-oxazol-4-yl]prop-1-en-2-yl]-27-hydroxy-12,31-dimethyl-21-methylidene-4,10,14,29,30-pentaoxa-32-azapentacyclo[23.3.1.12,5.19,13.119,23]dotriaconta-2,5(32),6,16-tetraen-15-one, (1R,6E,9R,11R,12R,13S,16Z,19S,23R,25S,27R,31S)-11-((E)-1-(2-(((1R,3S,5R)-3-((1S,2E,4E,6R,8E)-9-bromo-1-hydroxy-6-methoxy-3-methylnona-2,4,8-trienyl)-1-hydroxy-5-methoxycyclohexyl)methyl)-1,3-oxazol-4-yl)prop-1-en-2-yl)-27-hydroxy-12,31-dimethyl-21-methylidene-4,10,14,29,30-pentaoxa-32-azapentacyclo(23.3.1.12,5.19,13.119,23)dotriaconta-2,5(32),6,16-tetraen-15-one
| Molecular Formula | C53H71BrN2O13 |
|---|---|
| Molecular Weight | 1022.41 g/mol |
| LogP | 8.7578 |
| Topological Polar Surface Area | 194.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 12 |
| Exact Mass | 1022.41394 |
| Heavy Atoms | 69 |
| Complexity | 2211.4822 |
Chemical Identifiers
| CAS Number | 165883-76-1 |
|---|---|
| SMILES | C[C@H]1[C@@H](OC2C/C=C\C3=NC(=CO3)[C@H]4C[C@@H](C[C@H](O4)C[C@H]5CC(=C)C[C@@H](O5)C/C=C/C(=O)OC1[C@@H]2C)O)/C(=C/C6=COC(=N6)C[C@@]7(C[C@@H](C[C@@H](O7)[C@@H](/C=C(\C)/C=C/[C@@H](C/C=C/Br)OC)O)OC)O)/C |
Product Overview
Phorboxazole A (CAS 165883-76-1), with molecular formula C53H71BrN2O13 and molecular weight 1022.41 g/mol. IUPAC: (1R,6Z,11R,12R,16E,19S,23R,25S,27R,31R)-11-[(E)-1-[2-[[(2S,4R,6R)-6-[(1R,2E,4E,6R,8E)-9-bromo-1-hydroxy-6-methoxy-3-methylnona-2,4,8-trienyl]-2-hydroxy-4-methoxyoxan-2-yl]methyl]-1,3-oxazol-4-yl]prop-1-en-2-yl]-27-hydroxy-12,31-dimethyl-21-methylidene-4,10,14,29,30-pentaoxa-32-azapentacyclo[23.3.1.12,5.19,13.119,23]dotriaconta-2,5(32),6,16-tetraen-15-one.
Chemical Property Profile of Phorboxazole A
Property Insights of Phorboxazole A
The XLogP value of 8.7578 indicates that Phorboxazole A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 194.43 Ų indicates high polarity, suggesting Phorboxazole A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phorboxazole A has 3 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phorboxazole A?
The CAS number of Phorboxazole A is 165883-76-1.
What is the molecular formula of Phorboxazole A?
The molecular formula of Phorboxazole A is C53H71BrN2O13.
What is the molecular weight of Phorboxazole A?
The molecular weight of Phorboxazole A is 1022.41 g/mol.
Where can I buy Phorboxazole A?
You can request a quote for Phorboxazole A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phorboxazole A?
Yes, KEHONG BIO provides custom synthesis services for Phorboxazole A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.