Ptilosarcenone
TL;DR: Ptilosarcenone (CAS 64597-87-1) is a chemical compound with molecular formula C24H29ClO8 and molecular weight 480.16 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,13S,17R)-2-acetyloxy-8-chloro-3-hydroxy-4,13,17-trimethyl-9-methylidene-5,16-dioxo-6-oxatricyclo[11.4.0.03,7]heptadeca-10,14-dien-12-yl] acetate
Also Known As: Ptilosarcenone, ((1S,2S,3R,4R,7R,8S,10Z,12S,13S,17R)-2-acetyloxy-8-chloro-3-hydroxy-4,13,17-trimethyl-9-methylidene-5,16-dioxo-6-oxatricyclo(11.4.0.03,7)heptadeca-10,14-dien-12-yl) acetate, ((1S,7R,8S,10Z,13S,17R)-2-acetyloxy-8-chloro-3-hydroxy-4,13,17-trimethyl-9-methylidene-5,16-dioxo-6-oxatricyclo(11.4.0.03,7)heptadeca-10,14-dien-12-yl) acetate, [(1S,2S,3R,4R,7R,8S,10Z,12S,13S,17R)-2-acetyloxy-8-chloro-3-hydroxy-4,13,17-trimethyl-9-methylidene-5,16-dioxo-6-oxatricyclo[11.4.0.03,7]heptadeca-10,14-dien-12-yl] acetate, [(1S,7R,8S,10Z,13S,17R)-2-acetyloxy-8-chloro-3-hydroxy-4,13,17-trimethyl-9-methylidene-5,16-dioxo-6-oxatricyclo[11.4.0.03,7]heptadeca-10,14-dien-12-yl] acetate
| Molecular Formula | C24H29ClO8 |
|---|---|
| Molecular Weight | 480.16 g/mol |
| LogP | 2.2733 |
| Topological Polar Surface Area | 116.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 480.1551 |
| Heavy Atoms | 33 |
| Complexity | 954.1109 |
Chemical Identifiers
| CAS Number | 64597-87-1 |
|---|---|
| SMILES | C[C@@H]1[C@@H]2[C@@H]([C@@]3([C@H](C(=O)O[C@H]3[C@H](C(=C)/C=C\[C@@H]([C@]2(C=CC1=O)C)OC(=O)C)Cl)C)O)OC(=O)C |
Product Overview
Ptilosarcenone (CAS 64597-87-1), with molecular formula C24H29ClO8 and molecular weight 480.16 g/mol. IUPAC: [(1S,2S,3R,4R,7R,8S,10Z,12S,13S,17R)-2-acetyloxy-8-chloro-3-hydroxy-4,13,17-trimethyl-9-methylidene-5,16-dioxo-6-oxatricyclo[11.4.0.03,7]heptadeca-10,14-dien-12-yl] acetate.
Chemical Property Profile of Ptilosarcenone
Property Insights of Ptilosarcenone
The XLogP value of 2.2733 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ptilosarcenone. The TPSA of 116.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ptilosarcenone. Following Lipinski's Rule of Five, Ptilosarcenone has 1 hydrogen bond donor(s) and 8 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 Ptilosarcenone?
The CAS number of Ptilosarcenone is 64597-87-1.
What is the molecular formula of Ptilosarcenone?
The molecular formula of Ptilosarcenone is C24H29ClO8.
What is the molecular weight of Ptilosarcenone?
The molecular weight of Ptilosarcenone is 480.16 g/mol.
Where can I buy Ptilosarcenone?
You can request a quote for Ptilosarcenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ptilosarcenone?
Yes, KEHONG BIO provides custom synthesis services for Ptilosarcenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.