clavulone III
TL;DR: clavulone III (CAS 85700-44-3) is a chemical compound with molecular formula C25H34O7 and molecular weight 446.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E,4R,7Z)-4-acetyloxy-7-[(2S)-2-acetyloxy-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoate
Also Known As: Clavulone III, Clavulone II, methyl (E,4R,7Z)-4-acetyloxy-7-[(2S)-2-acetyloxy-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoate, methyl 4R,12S-diacetoxy-9-oxo-5E,7Z,10Z,13Z-prostatetraenoate-cyclo[8,12], methyl (4R,5E,7Z,14Z)-4,12-bis(acetyloxy)-9-oxo-12alpha-prosta-5,7,10,14-tetraen-1-oate
| Molecular Formula | C25H34O7 |
|---|---|
| Molecular Weight | 446.23 g/mol |
| LogP | 4.3213 |
| Topological Polar Surface Area | 95.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 446.23044 |
| Heavy Atoms | 32 |
| Complexity | 788.1121 |
Chemical Identifiers
| CAS Number | 85700-44-3 |
|---|---|
| SMILES | CCCCC/C=C\C[C@@]\1(C=CC(=O)/C1=C\C=C\[C@@H](CCC(=O)OC)OC(=O)C)OC(=O)C |
Product Overview
clavulone III (CAS 85700-44-3), with molecular formula C25H34O7 and molecular weight 446.23 g/mol. IUPAC: methyl (E,4R,7Z)-4-acetyloxy-7-[(2S)-2-acetyloxy-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoate.
Chemical Property Profile of clavulone III
Property Insights of clavulone III
The XLogP value of 4.3213 indicates that clavulone III is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.97 Ų falls within the moderate polarity range, balancing permeability and solubility for clavulone III. Following Lipinski's Rule of Five, clavulone III has 0 hydrogen bond donor(s) and 7 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 clavulone III?
The CAS number of clavulone III is 85700-44-3.
What is the molecular formula of clavulone III?
The molecular formula of clavulone III is C25H34O7.
What is the molecular weight of clavulone III?
The molecular weight of clavulone III is 446.23 g/mol.
Where can I buy clavulone III?
You can request a quote for clavulone III directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for clavulone III?
Yes, KEHONG BIO provides custom synthesis services for clavulone III and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.