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5-[(Ethylsulfonyl)methyl]-6-propyl-1,3-benzodioxole
TL;DR: 5-[(Ethylsulfonyl)methyl]-6-propyl-1,3-benzodioxole (CAS 54531-03-2) is a chemical compound with molecular formula C13H18O4S and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(ethylsulfonylmethyl)-6-propyl-1,3-benzodioxole
Also Known As: EINECS 259-202-4, 5-[(ethylsulfonyl)methyl]-6-propyl-1,3-benzodioxole, 5-(ethylsulfonylmethyl)-6-propyl-1,3-benzodioxole, 1,3-Benzodioxole,5-[(ethylsulfonyl)methyl]-6-propyl-, 5-[(ETHANESULFONYL)METHYL]-6-PROPYL-2H-1,3-BENZODIOXOLE
| Molecular Formula | C13H18O4S |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 61.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.0926 |
| Heavy Atoms | 18 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 54531-03-2 |
|---|---|
| SMILES | CCCC1=CC2=C(C=C1CS(=O)(=O)CC)OCO2 |
| InChIKey | VBQDPEPOSYSLJS-UHFFFAOYSA-N |
Product Overview
5-[(Ethylsulfonyl)methyl]-6-propyl-1,3-benzodioxole (CAS 54531-03-2), with molecular formula C13H18O4S and molecular weight 270.09 g/mol. IUPAC: 5-(ethylsulfonylmethyl)-6-propyl-1,3-benzodioxole.
Chemical Property Profile of 5-[(Ethylsulfonyl)methyl]-6-propyl-1,3-benzodioxole
Property Insights of 5-[(Ethylsulfonyl)methyl]-6-propyl-1,3-benzodioxole
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(Ethylsulfonyl)methyl]-6-propyl-1,3-benzodioxole. The TPSA of 61.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(Ethylsulfonyl)methyl]-6-propyl-1,3-benzodioxole. Following Lipinski's Rule of Five, 5-[(Ethylsulfonyl)methyl]-6-propyl-1,3-benzodioxole 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 5-[(Ethylsulfonyl)methyl]-6-propyl-1,3-benzodioxole?
The CAS number of 5-[(Ethylsulfonyl)methyl]-6-propyl-1,3-benzodioxole is 54531-03-2.
What is the molecular formula of 5-[(Ethylsulfonyl)methyl]-6-propyl-1,3-benzodioxole?
The molecular formula of 5-[(Ethylsulfonyl)methyl]-6-propyl-1,3-benzodioxole is C13H18O4S.
What is the molecular weight of 5-[(Ethylsulfonyl)methyl]-6-propyl-1,3-benzodioxole?
The molecular weight of 5-[(Ethylsulfonyl)methyl]-6-propyl-1,3-benzodioxole is 270.09 g/mol.
Where can I buy 5-[(Ethylsulfonyl)methyl]-6-propyl-1,3-benzodioxole?
You can request a quote for 5-[(Ethylsulfonyl)methyl]-6-propyl-1,3-benzodioxole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(Ethylsulfonyl)methyl]-6-propyl-1,3-benzodioxole?
Yes, KEHONG BIO provides custom synthesis services for 5-[(Ethylsulfonyl)methyl]-6-propyl-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.