1,3-Benzodioxol-5-ylmethyl phenyl sulfoxide
TL;DR: 1,3-Benzodioxol-5-ylmethyl phenyl sulfoxide (CAS 55815-82-2) is a chemical compound with molecular formula C14H12O3S and molecular weight 260.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzenesulfinylmethyl)-1,3-benzodioxole
Also Known As: 1,3-Benzodioxol-5-ylmethyl phenyl sulfoxide, 5-(benzenesulfinylmethyl)-1,3-benzodioxole, 5-((Phenylsulfinyl)methyl)-1,3-benzodioxole, Phenyl(1,3-benzodioxol-5-ylmethyl) sulfoxide, 5-[(BENZENESULFINYL)METHYL]-2H-1,3-BENZODIOXOLE
| Molecular Formula | C14H12O3S |
|---|---|
| Molecular Weight | 260.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.05072 |
| Heavy Atoms | 18 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 55815-82-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CS(=O)C3=CC=CC=C3 |
| InChIKey | AUIUSBNFCZAULP-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxol-5-ylmethyl phenyl sulfoxide (CAS 55815-82-2), with molecular formula C14H12O3S and molecular weight 260.05 g/mol. IUPAC: 5-(benzenesulfinylmethyl)-1,3-benzodioxole.
Chemical Property Profile of 1,3-Benzodioxol-5-ylmethyl phenyl sulfoxide
Property Insights of 1,3-Benzodioxol-5-ylmethyl phenyl sulfoxide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxol-5-ylmethyl phenyl sulfoxide. With a topological polar surface area (TPSA) of 54.7 Ų, 1,3-Benzodioxol-5-ylmethyl phenyl sulfoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxol-5-ylmethyl phenyl sulfoxide has 0 hydrogen bond donor(s) and 4 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 1,3-Benzodioxol-5-ylmethyl phenyl sulfoxide?
The CAS number of 1,3-Benzodioxol-5-ylmethyl phenyl sulfoxide is 55815-82-2.
What is the molecular formula of 1,3-Benzodioxol-5-ylmethyl phenyl sulfoxide?
The molecular formula of 1,3-Benzodioxol-5-ylmethyl phenyl sulfoxide is C14H12O3S.
What is the molecular weight of 1,3-Benzodioxol-5-ylmethyl phenyl sulfoxide?
The molecular weight of 1,3-Benzodioxol-5-ylmethyl phenyl sulfoxide is 260.05 g/mol.
Where can I buy 1,3-Benzodioxol-5-ylmethyl phenyl sulfoxide?
You can request a quote for 1,3-Benzodioxol-5-ylmethyl phenyl sulfoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxol-5-ylmethyl phenyl sulfoxide?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxol-5-ylmethyl phenyl sulfoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.