![N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide structure](/static/products/1008/1008712-13-7.webp)
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide (CAS 1008712-13-7) is a chemical compound with molecular formula C21H25N3O4S and molecular weight 415.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide, N-[(2H-1,3-Benzodioxol-5-yl)methyl]-N~2~-methyl-N~2~-{2-[2-(methylsulfanyl)anilino]-2-oxoethyl}alaninamide
| Molecular Formula | C21H25N3O4S |
|---|---|
| Molecular Weight | 415.16 g/mol |
| LogP | 2.7124 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 415.1566 |
| Heavy Atoms | 29 |
| Complexity | 889.98 |
Chemical Identifiers
| CAS Number | 1008712-13-7 |
|---|---|
| SMILES | CC(C(=O)NCC1=CC2=C(C=C1)OCO2)N(C)CC(=O)NC3=CC=CC=C3SC |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide (CAS 1008712-13-7), with molecular formula C21H25N3O4S and molecular weight 415.16 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
The XLogP value of 2.7124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide has 2 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 N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide is 1008712-13-7.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide is C21H25N3O4S.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide is 415.16 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.