2-((2-((3,4-Dimethoxybenzyl)amino)-2-oxoethyl)sulfonyl)acetic acid
TL;DR: 2-((2-((3,4-Dimethoxybenzyl)amino)-2-oxoethyl)sulfonyl)acetic acid (CAS 338793-98-9) is a chemical compound with molecular formula C13H17NO7S and molecular weight 331.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]sulfonylacetic acid
Also Known As: 6H-351S, 2-((2-((3,4-Dimethoxybenzyl)amino)-2-oxoethyl)sulfonyl)acetic acid, 2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]sulfonylacetic acid, 2-({[(3,4-dimethoxyphenyl)methyl]carbamoyl}methanesulfonyl)acetic acid, 2-({2-[(3,4-dimethoxybenzyl)amino]-2-oxoethyl}sulfonyl)acetic acid
| Molecular Formula | C13H17NO7S |
|---|---|
| Molecular Weight | 331.07 g/mol |
| LogP | -0.1806 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 331.07257 |
| Heavy Atoms | 22 |
| Complexity | 654.3525 |
Chemical Identifiers
| CAS Number | 338793-98-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CNC(=O)CS(=O)(=O)CC(=O)O)OC |
Product Overview
2-((2-((3,4-Dimethoxybenzyl)amino)-2-oxoethyl)sulfonyl)acetic acid (CAS 338793-98-9), with molecular formula C13H17NO7S and molecular weight 331.07 g/mol. IUPAC: 2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]sulfonylacetic acid.
Chemical Property Profile of 2-((2-((3,4-Dimethoxybenzyl)amino)-2-oxoethyl)sulfonyl)acetic acid
Property Insights of 2-((2-((3,4-Dimethoxybenzyl)amino)-2-oxoethyl)sulfonyl)acetic acid
The XLogP value of -0.1806 indicates that 2-((2-((3,4-Dimethoxybenzyl)amino)-2-oxoethyl)sulfonyl)acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-((3,4-Dimethoxybenzyl)amino)-2-oxoethyl)sulfonyl)acetic acid. Following Lipinski's Rule of Five, 2-((2-((3,4-Dimethoxybenzyl)amino)-2-oxoethyl)sulfonyl)acetic acid 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 2-((2-((3,4-Dimethoxybenzyl)amino)-2-oxoethyl)sulfonyl)acetic acid?
The CAS number of 2-((2-((3,4-Dimethoxybenzyl)amino)-2-oxoethyl)sulfonyl)acetic acid is 338793-98-9.
What is the molecular formula of 2-((2-((3,4-Dimethoxybenzyl)amino)-2-oxoethyl)sulfonyl)acetic acid?
The molecular formula of 2-((2-((3,4-Dimethoxybenzyl)amino)-2-oxoethyl)sulfonyl)acetic acid is C13H17NO7S.
What is the molecular weight of 2-((2-((3,4-Dimethoxybenzyl)amino)-2-oxoethyl)sulfonyl)acetic acid?
The molecular weight of 2-((2-((3,4-Dimethoxybenzyl)amino)-2-oxoethyl)sulfonyl)acetic acid is 331.07 g/mol.
Where can I buy 2-((2-((3,4-Dimethoxybenzyl)amino)-2-oxoethyl)sulfonyl)acetic acid?
You can request a quote for 2-((2-((3,4-Dimethoxybenzyl)amino)-2-oxoethyl)sulfonyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-((3,4-Dimethoxybenzyl)amino)-2-oxoethyl)sulfonyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-((3,4-Dimethoxybenzyl)amino)-2-oxoethyl)sulfonyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.