Clavulone IV
TL;DR: Clavulone IV (CAS 85611-86-5) 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 (Z,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 IV, Clavulone II, methyl (Z,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-5Z,7Z,10Z,13Z-prostatetraenoate-cyclo[8,12], methyl (4R,5Z,7Z,14Z)-4,12-diacetoxy-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 | 85611-86-5 |
|---|---|
| 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 IV (CAS 85611-86-5), with molecular formula C25H34O7 and molecular weight 446.23 g/mol. IUPAC: methyl (Z,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 IV
Property Insights of Clavulone IV
The XLogP value of 4.3213 indicates that Clavulone IV 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 IV. Following Lipinski's Rule of Five, Clavulone IV 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 IV?
The CAS number of Clavulone IV is 85611-86-5.
What is the molecular formula of Clavulone IV?
The molecular formula of Clavulone IV is C25H34O7.
What is the molecular weight of Clavulone IV?
The molecular weight of Clavulone IV is 446.23 g/mol.
Where can I buy Clavulone IV?
You can request a quote for Clavulone IV directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Clavulone IV?
Yes, KEHONG BIO provides custom synthesis services for Clavulone IV and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.