![1,2-Octanedione, 1-[4-(phenylthio)phenyl]-, 2-(O-benzoyloxime) structure](/static/products/2535/253585-83-0.webp)
1,2-Octanedione, 1-[4-(phenylthio)phenyl]-, 2-(O-benzoyloxime)
TL;DR: 1,2-Octanedione, 1-[4-(phenylthio)phenyl]-, 2-(O-benzoyloxime) (CAS 253585-83-0) is a chemical compound with molecular formula C27H27NO3S and molecular weight 445.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[1-oxo-1-(4-phenylsulfanylphenyl)octan-2-ylidene]amino] benzoate
Also Known As: 1-[4-(Phenylthio)phenyl]-1,2-octanedione 2-(O-benzoyloxime), TKA 40211, 1,2-Octanedione, 1-(4-(phenylthio)phenyl)-, 2-(O-benzoyloxime), 2-((Benzoyloxy)imino)-1-(4-(phenylthio)phenyl)octan-1-one, 1,2-Octanedione, 1-(4-(phenylthio)phenyl)-
| Molecular Formula | C27H27NO3S |
|---|---|
| Molecular Weight | 445.17 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 81.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 445.17117 |
| Heavy Atoms | 32 |
| Complexity | 600.0 |
Chemical Identifiers
| CAS Number | 253585-83-0 |
|---|---|
| SMILES | CCCCCCC(=NOC(=O)C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)SC3=CC=CC=C3 |
| InChIKey | LOCXTTRLSIDGPS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Octanedione, 1-[4-(phenylthio)phenyl]-, 2-(O-benzoyloxime) (CAS 253585-83-0), with molecular formula C27H27NO3S and molecular weight 445.17 g/mol. IUPAC: [[1-oxo-1-(4-phenylsulfanylphenyl)octan-2-ylidene]amino] benzoate.
Chemical Property Profile of 1,2-Octanedione, 1-[4-(phenylthio)phenyl]-, 2-(O-benzoyloxime)
Property Insights of 1,2-Octanedione, 1-[4-(phenylthio)phenyl]-, 2-(O-benzoyloxime)
The XLogP value of 7.8 indicates that 1,2-Octanedione, 1-[4-(phenylthio)phenyl]-, 2-(O-benzoyloxime) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Octanedione, 1-[4-(phenylthio)phenyl]-, 2-(O-benzoyloxime). Following Lipinski's Rule of Five, 1,2-Octanedione, 1-[4-(phenylthio)phenyl]-, 2-(O-benzoyloxime) has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2-Octanedione, 1-[4-(phenylthio)phenyl]-, 2-(O-benzoyloxime)?
The CAS number of 1,2-Octanedione, 1-[4-(phenylthio)phenyl]-, 2-(O-benzoyloxime) is 253585-83-0.
What is the molecular formula of 1,2-Octanedione, 1-[4-(phenylthio)phenyl]-, 2-(O-benzoyloxime)?
The molecular formula of 1,2-Octanedione, 1-[4-(phenylthio)phenyl]-, 2-(O-benzoyloxime) is C27H27NO3S.
What is the molecular weight of 1,2-Octanedione, 1-[4-(phenylthio)phenyl]-, 2-(O-benzoyloxime)?
The molecular weight of 1,2-Octanedione, 1-[4-(phenylthio)phenyl]-, 2-(O-benzoyloxime) is 445.17 g/mol.
Where can I buy 1,2-Octanedione, 1-[4-(phenylthio)phenyl]-, 2-(O-benzoyloxime)?
You can request a quote for 1,2-Octanedione, 1-[4-(phenylthio)phenyl]-, 2-(O-benzoyloxime) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Octanedione, 1-[4-(phenylthio)phenyl]-, 2-(O-benzoyloxime)?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Octanedione, 1-[4-(phenylthio)phenyl]-, 2-(O-benzoyloxime) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.