3-(benzenesulfinyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylprop-2-enamide
TL;DR: 3-(benzenesulfinyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylprop-2-enamide (CAS 207350-09-2) is a chemical compound with molecular formula C21H23NO4S and molecular weight 385.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzenesulfinyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylprop-2-enamide
Also Known As: NCI60_037627, 3-(benzenesulfinyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-bu, (Z)-3-(benzenesulfinyl)-N-(benzo[1,3]dioxol-5-ylmethyl)-N-tert-butyl-prop-2-enamide, 3-(benzenesulfinyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylprop-2-enamide
| Molecular Formula | C21H23NO4S |
|---|---|
| Molecular Weight | 385.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 75.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.13477 |
| Heavy Atoms | 27 |
| Complexity | 565.0 |
Chemical Identifiers
| CAS Number | 207350-09-2 |
|---|---|
| SMILES | CC(C)(C)N(CC1=CC2=C(C=C1)OCO2)C(=O)C=CS(=O)C3=CC=CC=C3 |
| InChIKey | ONNGZSNFZVBIIU-UHFFFAOYSA-N |
Product Overview
3-(benzenesulfinyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylprop-2-enamide (CAS 207350-09-2), with molecular formula C21H23NO4S and molecular weight 385.13 g/mol. IUPAC: 3-(benzenesulfinyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylprop-2-enamide.
Chemical Property Profile of 3-(benzenesulfinyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylprop-2-enamide
Property Insights of 3-(benzenesulfinyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylprop-2-enamide
The XLogP value of 3.0 indicates that 3-(benzenesulfinyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylprop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(benzenesulfinyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylprop-2-enamide. Following Lipinski's Rule of Five, 3-(benzenesulfinyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylprop-2-enamide has 0 hydrogen bond donor(s) and 5 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 3-(benzenesulfinyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylprop-2-enamide?
The CAS number of 3-(benzenesulfinyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylprop-2-enamide is 207350-09-2.
What is the molecular formula of 3-(benzenesulfinyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylprop-2-enamide?
The molecular formula of 3-(benzenesulfinyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylprop-2-enamide is C21H23NO4S.
What is the molecular weight of 3-(benzenesulfinyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylprop-2-enamide?
The molecular weight of 3-(benzenesulfinyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylprop-2-enamide is 385.13 g/mol.
Where can I buy 3-(benzenesulfinyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylprop-2-enamide?
You can request a quote for 3-(benzenesulfinyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylprop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(benzenesulfinyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylprop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(benzenesulfinyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.