1,3-Benzodioxole, 5-(2-(octylthio)propyl)-
TL;DR: 1,3-Benzodioxole, 5-(2-(octylthio)propyl)- (CAS 5382-10-5) is a chemical compound with molecular formula C18H28O2S and molecular weight 308.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-octylsulfanylpropyl)-1,3-benzodioxole
Also Known As: 5-(2-(Octylthio)propyl)-1,3-benzodioxole, 1,3-Benzodioxole, 5-[2-(octylthio)propyl]-, 1,3-Benzodioxole, 5-(2-(octylthio)propyl)-, 5-(2-octylsulfanylpropyl)-1,3-benzodioxole, 5-[2-(OCTYLSULFANYL)PROPYL]-2H-1,3-BENZODIOXOLE
| Molecular Formula | C18H28O2S |
|---|---|
| Molecular Weight | 308.18 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 43.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 308.181 |
| Heavy Atoms | 21 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 5382-10-5 |
|---|---|
| SMILES | CCCCCCCCSC(C)CC1=CC2=C(C=C1)OCO2 |
| InChIKey | HEPOTAGQICHPBU-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxole, 5-(2-(octylthio)propyl)- (CAS 5382-10-5), with molecular formula C18H28O2S and molecular weight 308.18 g/mol. IUPAC: 5-(2-octylsulfanylpropyl)-1,3-benzodioxole.
Chemical Property Profile of 1,3-Benzodioxole, 5-(2-(octylthio)propyl)-
Property Insights of 1,3-Benzodioxole, 5-(2-(octylthio)propyl)-
The XLogP value of 6.6 indicates that 1,3-Benzodioxole, 5-(2-(octylthio)propyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.8 Ų, 1,3-Benzodioxole, 5-(2-(octylthio)propyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole, 5-(2-(octylthio)propyl)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Benzodioxole, 5-(2-(octylthio)propyl)-?
The CAS number of 1,3-Benzodioxole, 5-(2-(octylthio)propyl)- is 5382-10-5.
What is the molecular formula of 1,3-Benzodioxole, 5-(2-(octylthio)propyl)-?
The molecular formula of 1,3-Benzodioxole, 5-(2-(octylthio)propyl)- is C18H28O2S.
What is the molecular weight of 1,3-Benzodioxole, 5-(2-(octylthio)propyl)-?
The molecular weight of 1,3-Benzodioxole, 5-(2-(octylthio)propyl)- is 308.18 g/mol.
Where can I buy 1,3-Benzodioxole, 5-(2-(octylthio)propyl)-?
You can request a quote for 1,3-Benzodioxole, 5-(2-(octylthio)propyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole, 5-(2-(octylthio)propyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole, 5-(2-(octylthio)propyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.