1-(Phenylsulfinyl)azulene
TL;DR: 1-(Phenylsulfinyl)azulene (CAS 104494-34-0) is a chemical compound with molecular formula C16H12OS and molecular weight 252.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfinyl)azulene
Also Known As: 1-(phenylsulfinyl)azulene, 1-(benzenesulfinyl)azulene, KST-1A9701
| Molecular Formula | C16H12OS |
|---|---|
| Molecular Weight | 252.06 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.06088 |
| Heavy Atoms | 18 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 104494-34-0 |
|---|---|
| SMILES | C1=CC=C2C=CC(=C2C=C1)S(=O)C3=CC=CC=C3 |
| InChIKey | IBFDUEYDXKRKHO-UHFFFAOYSA-N |
Product Overview
1-(Phenylsulfinyl)azulene (CAS 104494-34-0), with molecular formula C16H12OS and molecular weight 252.06 g/mol. IUPAC: 1-(benzenesulfinyl)azulene.
Chemical Property Profile of 1-(Phenylsulfinyl)azulene
Property Insights of 1-(Phenylsulfinyl)azulene
The XLogP value of 3.7 indicates that 1-(Phenylsulfinyl)azulene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.3 Ų, 1-(Phenylsulfinyl)azulene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Phenylsulfinyl)azulene has 0 hydrogen bond donor(s) and 2 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 1-(Phenylsulfinyl)azulene?
The CAS number of 1-(Phenylsulfinyl)azulene is 104494-34-0.
What is the molecular formula of 1-(Phenylsulfinyl)azulene?
The molecular formula of 1-(Phenylsulfinyl)azulene is C16H12OS.
What is the molecular weight of 1-(Phenylsulfinyl)azulene?
The molecular weight of 1-(Phenylsulfinyl)azulene is 252.06 g/mol.
Where can I buy 1-(Phenylsulfinyl)azulene?
You can request a quote for 1-(Phenylsulfinyl)azulene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Phenylsulfinyl)azulene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Phenylsulfinyl)azulene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.