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[2-(3-Methoxyanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
TL;DR: [2-(3-Methoxyanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate (CAS 749210-63-7) is a chemical compound with molecular formula C18H19NO4S and molecular weight 345.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-methoxyanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
Also Known As: [2-(3-methoxyanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate|2-(3-Methoxyanilino)-2-oxoethyl 3-(phenylsulfanyl)propanoate|MLS002248576|SMR001316037
| Molecular Formula | C18H19NO4S |
|---|---|
| Molecular Weight | 345.10 g/mol |
| LogP | 3.3593 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 345.1035 |
| Heavy Atoms | 24 |
| Complexity | 675.7288 |
Chemical Identifiers
| CAS Number | 749210-63-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1)NC(=O)COC(=O)CCSC2=CC=CC=C2 |
Product Overview
[2-(3-Methoxyanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate (CAS 749210-63-7), with molecular formula C18H19NO4S and molecular weight 345.10 g/mol. IUPAC: [2-(3-methoxyanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate.
Chemical Property Profile of [2-(3-Methoxyanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
Property Insights of [2-(3-Methoxyanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
The XLogP value of 3.3593 indicates that [2-(3-Methoxyanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(3-Methoxyanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate. Following Lipinski's Rule of Five, [2-(3-Methoxyanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate has 1 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 [2-(3-Methoxyanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate?
The CAS number of [2-(3-Methoxyanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate is 749210-63-7.
What is the molecular formula of [2-(3-Methoxyanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate?
The molecular formula of [2-(3-Methoxyanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate is C18H19NO4S.
What is the molecular weight of [2-(3-Methoxyanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate?
The molecular weight of [2-(3-Methoxyanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate is 345.10 g/mol.
Where can I buy [2-(3-Methoxyanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate?
You can request a quote for [2-(3-Methoxyanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(3-Methoxyanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for [2-(3-Methoxyanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.