![methyl 4-[[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetyl]oxymethyl]benzoate structure](/static/products/879/879139-87-4.png)
methyl 4-[[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetyl]oxymethyl]benzoate
TL;DR: methyl 4-[[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetyl]oxymethyl]benzoate (CAS 879139-87-4) is a chemical compound with molecular formula C21H23NO5S and molecular weight 401.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetyl]oxymethyl]benzoate
Also Known As: methyl 4-[[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetyl]oxymethyl]benzoate, Methyl 4-{[({[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}acetyl)oxy]methyl}benzoate
| Molecular Formula | C21H23NO5S |
|---|---|
| Molecular Weight | 401.13 g/mol |
| LogP | 3.50514 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 401.1297 |
| Heavy Atoms | 28 |
| Complexity | 848.3745 |
Chemical Identifiers
| CAS Number | 879139-87-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)CSCC(=O)OCC2=CC=C(C=C2)C(=O)OC)C |
Product Overview
methyl 4-[[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetyl]oxymethyl]benzoate (CAS 879139-87-4), with molecular formula C21H23NO5S and molecular weight 401.13 g/mol. IUPAC: methyl 4-[[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetyl]oxymethyl]benzoate.
Chemical Property Profile of methyl 4-[[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetyl]oxymethyl]benzoate
Property Insights of methyl 4-[[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetyl]oxymethyl]benzoate
The XLogP value of 3.50514 indicates that methyl 4-[[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetyl]oxymethyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetyl]oxymethyl]benzoate. Following Lipinski's Rule of Five, methyl 4-[[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetyl]oxymethyl]benzoate 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 methyl 4-[[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetyl]oxymethyl]benzoate?
The CAS number of methyl 4-[[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetyl]oxymethyl]benzoate is 879139-87-4.
What is the molecular formula of methyl 4-[[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetyl]oxymethyl]benzoate?
The molecular formula of methyl 4-[[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetyl]oxymethyl]benzoate is C21H23NO5S.
What is the molecular weight of methyl 4-[[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetyl]oxymethyl]benzoate?
The molecular weight of methyl 4-[[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetyl]oxymethyl]benzoate is 401.13 g/mol.
Where can I buy methyl 4-[[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetyl]oxymethyl]benzoate?
You can request a quote for methyl 4-[[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetyl]oxymethyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetyl]oxymethyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetyl]oxymethyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.