Benzenepropanamide, 3,4,5-trimethoxy-N-(phenylsulfonyl)-
TL;DR: Benzenepropanamide, 3,4,5-trimethoxy-N-(phenylsulfonyl)- (CAS 117824-56-3) is a chemical compound with molecular formula C18H21NO6S and molecular weight 379.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(benzenesulfonyl)-3-(3,4,5-trimethoxyphenyl)propanamide
Also Known As: NCI60_005206, Benzenepropanamide, 3,4,5-trimethoxy-N-(phenylsulfonyl)-, N-(benzenesulfonyl)-3-(3,4,5-trimethoxyphenyl)propanamide, 4-hydroxymethylphenoxyacetic acid pentafluorophenyl ester, N-(phenylsulfonyl)-3-(3,4,5-trimethoxyphenyl)propanamide
| Molecular Formula | C18H21NO6S |
|---|---|
| Molecular Weight | 379.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 99.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 379.10895 |
| Heavy Atoms | 26 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 117824-56-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)CCC(=O)NS(=O)(=O)C2=CC=CC=C2 |
| InChIKey | UBSZOLJIGJFDFI-UHFFFAOYSA-N |
Product Overview
Benzenepropanamide, 3,4,5-trimethoxy-N-(phenylsulfonyl)- (CAS 117824-56-3), with molecular formula C18H21NO6S and molecular weight 379.11 g/mol. IUPAC: N-(benzenesulfonyl)-3-(3,4,5-trimethoxyphenyl)propanamide.
Chemical Property Profile of Benzenepropanamide, 3,4,5-trimethoxy-N-(phenylsulfonyl)-
Property Insights of Benzenepropanamide, 3,4,5-trimethoxy-N-(phenylsulfonyl)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenepropanamide, 3,4,5-trimethoxy-N-(phenylsulfonyl)-. The TPSA of 99.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenepropanamide, 3,4,5-trimethoxy-N-(phenylsulfonyl)-. Following Lipinski's Rule of Five, Benzenepropanamide, 3,4,5-trimethoxy-N-(phenylsulfonyl)- has 1 hydrogen bond donor(s) and 6 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 Benzenepropanamide, 3,4,5-trimethoxy-N-(phenylsulfonyl)-?
The CAS number of Benzenepropanamide, 3,4,5-trimethoxy-N-(phenylsulfonyl)- is 117824-56-3.
What is the molecular formula of Benzenepropanamide, 3,4,5-trimethoxy-N-(phenylsulfonyl)-?
The molecular formula of Benzenepropanamide, 3,4,5-trimethoxy-N-(phenylsulfonyl)- is C18H21NO6S.
What is the molecular weight of Benzenepropanamide, 3,4,5-trimethoxy-N-(phenylsulfonyl)-?
The molecular weight of Benzenepropanamide, 3,4,5-trimethoxy-N-(phenylsulfonyl)- is 379.11 g/mol.
Where can I buy Benzenepropanamide, 3,4,5-trimethoxy-N-(phenylsulfonyl)-?
You can request a quote for Benzenepropanamide, 3,4,5-trimethoxy-N-(phenylsulfonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanamide, 3,4,5-trimethoxy-N-(phenylsulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanamide, 3,4,5-trimethoxy-N-(phenylsulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.