Ptilosarcone
TL;DR: Ptilosarcone (CAS 64597-86-0) is a chemical compound with molecular formula C28H37ClO10 and molecular weight 568.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,3R,4R,7R,8S,10Z,12S,13R,14S,17R)-2,12-diacetyloxy-8-chloro-3-hydroxy-4,13,17-trimethyl-9-methylidene-5,16-dioxo-6-oxatricyclo[11.4.0.03,7]heptadec-10-en-14-yl] butanoate
Also Known As: Ptilosarcone, (-)-Ptilosarcone, Pentadecen-2-ol, (Z)-9-(butyryloxy)-4-chloro-13a-hydroxy-1,8a,12-trimethyl-5-methylene-2,11-dioxo-1,2,3a,4,5,8,8a,9,10,11,12,12a,13,13a-tetradecahydrobenzo[4,5]cyclodeca[1,2-b]furan-8,13-diyl diacetate
| Molecular Formula | C28H37ClO10 |
|---|---|
| Molecular Weight | 568.21 g/mol |
| LogP | 2.8191 |
| Topological Polar Surface Area | 142.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 568.2075 |
| Heavy Atoms | 39 |
| Complexity | 1084.2148 |
Chemical Identifiers
| CAS Number | 64597-86-0 |
|---|---|
| SMILES | CCCC(=O)O[C@H]1CC(=O)[C@@H]([C@H]2[C@]1([C@H](/C=C\C(=C)[C@@H]([C@H]3[C@]([C@H]2OC(=O)C)([C@H](C(=O)O3)C)O)Cl)OC(=O)C)C)C |
Product Overview
Ptilosarcone (CAS 64597-86-0), with molecular formula C28H37ClO10 and molecular weight 568.21 g/mol. IUPAC: [(1S,2S,3R,4R,7R,8S,10Z,12S,13R,14S,17R)-2,12-diacetyloxy-8-chloro-3-hydroxy-4,13,17-trimethyl-9-methylidene-5,16-dioxo-6-oxatricyclo[11.4.0.03,7]heptadec-10-en-14-yl] butanoate.
Chemical Property Profile of Ptilosarcone
Property Insights of Ptilosarcone
The XLogP value of 2.8191 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ptilosarcone. The TPSA of 142.5 Ų indicates high polarity, suggesting Ptilosarcone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ptilosarcone has 1 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 Ptilosarcone?
The CAS number of Ptilosarcone is 64597-86-0.
What is the molecular formula of Ptilosarcone?
The molecular formula of Ptilosarcone is C28H37ClO10.
What is the molecular weight of Ptilosarcone?
The molecular weight of Ptilosarcone is 568.21 g/mol.
Where can I buy Ptilosarcone?
You can request a quote for Ptilosarcone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ptilosarcone?
Yes, KEHONG BIO provides custom synthesis services for Ptilosarcone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.