Proresiniferatoxin
TL;DR: Proresiniferatoxin (CAS 6368-62-3) is a chemical compound with molecular formula C37H42O10 and molecular weight 646.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,6aS,7R,8R,10R,10aR,10bS)-3a,8,10a-trihydroxy-5-[[2-(3-hydroxy-5-methoxyphenyl)acetyl]oxymethyl]-2,10-dimethyl-3-oxo-8-prop-1-en-2-yl-4,6a,7,9,10,10b-hexahydrobenzo[e]azulen-7-yl] 2-phenylacetate
Also Known As: Proresiniferatoxin, KST-1A7010, [(3ar,6as,7r,8r,10r,10ar,10bs)-3a,8,10a-trihydroxy-2,10-dimethyl-3-oxo-7-[(phenylacetyl)oxy]-8-(prop-1-en-2-yl)-3,3a,4,6a,7,8,9,10,10a,10b-decahydrobenzo[e]azulen-5-yl]methyl(3-hydroxy-5-methoxyphenyl)acetate, [(3aR,6aS,7R,8R,10R,10aR,10bS)-3a,8,10a-trihydroxy-2,10-dimethyl-3-oxo-7-[(2-phenylacetyl)oxy]-8-(prop-1-en-2-yl)-3H,3aH,4H,6aH,7H,8H,9H,10H,10aH,10bH-cyclohexa[e]azulen-5-yl]methyl 2-(3-hydroxy-5-methoxyphenyl)acetate, [(3aR,6aS,7R,8R,10R,10aR,10bS)-3a,8,10a-Trihydroxy-2,10-dimethyl-3-oxo-7-[(phenylacetyl)oxy]-8-(prop-1-en-2-yl)-3,3a,4,6a,7,8,9,10,10a,10b-decahydrobenzo[e]azulen-5-yl]methyl (3-hydroxy-5-methoxyphenyl)acetate
| Molecular Formula | C37H42O10 |
|---|---|
| Molecular Weight | 646.28 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 646.2778 |
| Heavy Atoms | 47 |
| Complexity | 1300.0 |
Chemical Identifiers
| CAS Number | 6368-62-3 |
|---|---|
| SMILES | C[C@@H]1C[C@]([C@@H]([C@H]2[C@]1([C@@H]3C=C(C(=O)[C@]3(CC(=C2)COC(=O)CC4=CC(=CC(=C4)OC)O)O)C)O)OC(=O)CC5=CC=CC=C5)(C(=C)C)O |
| InChIKey | DAZVCHHJEVMXLP-RGTVDHTPSA-N |
Product Overview
Proresiniferatoxin (CAS 6368-62-3), with molecular formula C37H42O10 and molecular weight 646.28 g/mol. IUPAC: [(3aR,6aS,7R,8R,10R,10aR,10bS)-3a,8,10a-trihydroxy-5-[[2-(3-hydroxy-5-methoxyphenyl)acetyl]oxymethyl]-2,10-dimethyl-3-oxo-8-prop-1-en-2-yl-4,6a,7,9,10,10b-hexahydrobenzo[e]azulen-7-yl] 2-phenylacetate.
Chemical Property Profile of Proresiniferatoxin
Property Insights of Proresiniferatoxin
The XLogP value of 3.5 indicates that Proresiniferatoxin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 160.0 Ų indicates high polarity, suggesting Proresiniferatoxin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Proresiniferatoxin has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Proresiniferatoxin?
The CAS number of Proresiniferatoxin is 6368-62-3.
What is the molecular formula of Proresiniferatoxin?
The molecular formula of Proresiniferatoxin is C37H42O10.
What is the molecular weight of Proresiniferatoxin?
The molecular weight of Proresiniferatoxin is 646.28 g/mol.
Where can I buy Proresiniferatoxin?
You can request a quote for Proresiniferatoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Proresiniferatoxin?
Yes, KEHONG BIO provides custom synthesis services for Proresiniferatoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.