Piperonal, dibenzylmercaptal
TL;DR: Piperonal, dibenzylmercaptal (CAS 4720-67-6) is a chemical compound with molecular formula C22H20O2S2 and molecular weight 380.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[bis(benzylsulfanyl)methyl]-1,3-benzodioxole
Also Known As: Piperonal, dibenzylmercaptal, Piperonal, dibenzyl mercaptal, Piperonal,dibenzyl mercaptal, Piperonal dibenzyl dithioacetal, 5-[bis(benzylsulfanyl)methyl]-1,3-benzodioxole
| Molecular Formula | C22H20O2S2 |
|---|---|
| Molecular Weight | 380.09 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 69.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 380.09048 |
| Heavy Atoms | 26 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 4720-67-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(SCC3=CC=CC=C3)SCC4=CC=CC=C4 |
| InChIKey | KWUQLYZNZIXVAZ-UHFFFAOYSA-N |
Product Overview
Piperonal, dibenzylmercaptal (CAS 4720-67-6), with molecular formula C22H20O2S2 and molecular weight 380.09 g/mol. IUPAC: 5-[bis(benzylsulfanyl)methyl]-1,3-benzodioxole.
Chemical Property Profile of Piperonal, dibenzylmercaptal
Property Insights of Piperonal, dibenzylmercaptal
The XLogP value of 6.2 indicates that Piperonal, dibenzylmercaptal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperonal, dibenzylmercaptal. Following Lipinski's Rule of Five, Piperonal, dibenzylmercaptal has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Piperonal, dibenzylmercaptal?
The CAS number of Piperonal, dibenzylmercaptal is 4720-67-6.
What is the molecular formula of Piperonal, dibenzylmercaptal?
The molecular formula of Piperonal, dibenzylmercaptal is C22H20O2S2.
What is the molecular weight of Piperonal, dibenzylmercaptal?
The molecular weight of Piperonal, dibenzylmercaptal is 380.09 g/mol.
Where can I buy Piperonal, dibenzylmercaptal?
You can request a quote for Piperonal, dibenzylmercaptal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperonal, dibenzylmercaptal?
Yes, KEHONG BIO provides custom synthesis services for Piperonal, dibenzylmercaptal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.