Sulfoxide, 3-phenylpropadienyl trichloromethyl
TL;DR: Sulfoxide, 3-phenylpropadienyl trichloromethyl (CAS 21314-35-2) is a chemical compound with molecular formula C10H7Cl3OS and molecular weight 279.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(trichloromethylsulfinyl)propa-1,2-dienylbenzene
Also Known As: Sulfoxide, 3-phenylpropadienyl trichloromethyl, 3-phenylpropadienyl trichloromethyl sulfoxide, 3-(trichloromethylsulfinyl)propa-1,2-dienylbenzene, Benzene, (3-((trichloromethyl)sulfinyl)-1,2-propanedienyl)-, [3-(Trichloromethanesulfinyl)propadienyl]benzene
| Molecular Formula | C10H7Cl3OS |
|---|---|
| Molecular Weight | 279.93 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.9283 |
| Heavy Atoms | 15 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 21314-35-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=C=CS(=O)C(Cl)(Cl)Cl |
| InChIKey | CNEFSUKZTYDWTH-UHFFFAOYSA-N |
Product Overview
Sulfoxide, 3-phenylpropadienyl trichloromethyl (CAS 21314-35-2), with molecular formula C10H7Cl3OS and molecular weight 279.93 g/mol. IUPAC: 3-(trichloromethylsulfinyl)propa-1,2-dienylbenzene.
Chemical Property Profile of Sulfoxide, 3-phenylpropadienyl trichloromethyl
Property Insights of Sulfoxide, 3-phenylpropadienyl trichloromethyl
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sulfoxide, 3-phenylpropadienyl trichloromethyl. With a topological polar surface area (TPSA) of 36.3 Ų, Sulfoxide, 3-phenylpropadienyl trichloromethyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sulfoxide, 3-phenylpropadienyl trichloromethyl 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 Sulfoxide, 3-phenylpropadienyl trichloromethyl?
The CAS number of Sulfoxide, 3-phenylpropadienyl trichloromethyl is 21314-35-2.
What is the molecular formula of Sulfoxide, 3-phenylpropadienyl trichloromethyl?
The molecular formula of Sulfoxide, 3-phenylpropadienyl trichloromethyl is C10H7Cl3OS.
What is the molecular weight of Sulfoxide, 3-phenylpropadienyl trichloromethyl?
The molecular weight of Sulfoxide, 3-phenylpropadienyl trichloromethyl is 279.93 g/mol.
Where can I buy Sulfoxide, 3-phenylpropadienyl trichloromethyl?
You can request a quote for Sulfoxide, 3-phenylpropadienyl trichloromethyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfoxide, 3-phenylpropadienyl trichloromethyl?
Yes, KEHONG BIO provides custom synthesis services for Sulfoxide, 3-phenylpropadienyl trichloromethyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.