Caulerpenyne
TL;DR: Caulerpenyne (CAS 70000-22-5) is a chemical compound with molecular formula C21H26O6 and molecular weight 374.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-acetyloxy-3-(acetyloxymethylidene)-7,11-dimethyldodeca-1,6,10-trien-8-ynyl] acetate
Also Known As: Caulerpenyne, NCI60_004649, [4-acetyloxy-3-(acetyloxymethylidene)-7,11-dimethyldodeca-1,6,10-trien-8-ynyl] acetate
| Molecular Formula | C21H26O6 |
|---|---|
| Molecular Weight | 374.17 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 374.17294 |
| Heavy Atoms | 27 |
| Complexity | 733.0 |
Chemical Identifiers
| CAS Number | 70000-22-5 |
|---|---|
| SMILES | CC(=CC#CC(=CCC(C(=COC(=O)C)C=COC(=O)C)OC(=O)C)C)C |
| InChIKey | INZBEAIXTUMDIW-UHFFFAOYSA-N |
Product Overview
Caulerpenyne (CAS 70000-22-5), with molecular formula C21H26O6 and molecular weight 374.17 g/mol. IUPAC: [4-acetyloxy-3-(acetyloxymethylidene)-7,11-dimethyldodeca-1,6,10-trien-8-ynyl] acetate.
Chemical Property Profile of Caulerpenyne
Property Insights of Caulerpenyne
The XLogP value of 4.3 indicates that Caulerpenyne is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Caulerpenyne. Following Lipinski's Rule of Five, Caulerpenyne has 0 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 Caulerpenyne?
The CAS number of Caulerpenyne is 70000-22-5.
What is the molecular formula of Caulerpenyne?
The molecular formula of Caulerpenyne is C21H26O6.
What is the molecular weight of Caulerpenyne?
The molecular weight of Caulerpenyne is 374.17 g/mol.
Where can I buy Caulerpenyne?
You can request a quote for Caulerpenyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Caulerpenyne?
Yes, KEHONG BIO provides custom synthesis services for Caulerpenyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.