Methyl 4,5-dimethoxy-2-(3-(2-thienyl)propanoylamino)benzoate
TL;DR: Methyl 4,5-dimethoxy-2-(3-(2-thienyl)propanoylamino)benzoate (CAS 853891-96-0) is a chemical compound with molecular formula C17H19NO5S and molecular weight 349.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,5-dimethoxy-2-(3-thiophen-2-ylpropanoylamino)benzoate
Also Known As: UPCMLD0ENAT5740656:001, methyl 4,5-dimethoxy-2-(3-(2-thienyl)propanoylamino)benzoate, methyl 4,5-dimethoxy-2-(3-thiophen-2-ylpropanoylamino)benzoate, methyl 4,5-dimethoxy-2-{[3-(thiophen-2-yl)propanoyl]amino}benzoate
| Molecular Formula | C17H19NO5S |
|---|---|
| Molecular Weight | 349.10 g/mol |
| LogP | 3.1232 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 349.0984 |
| Heavy Atoms | 24 |
| Complexity | 712.021 |
Chemical Identifiers
| CAS Number | 853891-96-0 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CCC2=CC=CS2)OC |
Product Overview
Methyl 4,5-dimethoxy-2-(3-(2-thienyl)propanoylamino)benzoate (CAS 853891-96-0), with molecular formula C17H19NO5S and molecular weight 349.10 g/mol. IUPAC: methyl 4,5-dimethoxy-2-(3-thiophen-2-ylpropanoylamino)benzoate.
Chemical Property Profile of Methyl 4,5-dimethoxy-2-(3-(2-thienyl)propanoylamino)benzoate
Property Insights of Methyl 4,5-dimethoxy-2-(3-(2-thienyl)propanoylamino)benzoate
The XLogP value of 3.1232 indicates that Methyl 4,5-dimethoxy-2-(3-(2-thienyl)propanoylamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4,5-dimethoxy-2-(3-(2-thienyl)propanoylamino)benzoate. Following Lipinski's Rule of Five, Methyl 4,5-dimethoxy-2-(3-(2-thienyl)propanoylamino)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 4,5-dimethoxy-2-(3-(2-thienyl)propanoylamino)benzoate?
The CAS number of Methyl 4,5-dimethoxy-2-(3-(2-thienyl)propanoylamino)benzoate is 853891-96-0.
What is the molecular formula of Methyl 4,5-dimethoxy-2-(3-(2-thienyl)propanoylamino)benzoate?
The molecular formula of Methyl 4,5-dimethoxy-2-(3-(2-thienyl)propanoylamino)benzoate is C17H19NO5S.
What is the molecular weight of Methyl 4,5-dimethoxy-2-(3-(2-thienyl)propanoylamino)benzoate?
The molecular weight of Methyl 4,5-dimethoxy-2-(3-(2-thienyl)propanoylamino)benzoate is 349.10 g/mol.
Where can I buy Methyl 4,5-dimethoxy-2-(3-(2-thienyl)propanoylamino)benzoate?
You can request a quote for Methyl 4,5-dimethoxy-2-(3-(2-thienyl)propanoylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4,5-dimethoxy-2-(3-(2-thienyl)propanoylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4,5-dimethoxy-2-(3-(2-thienyl)propanoylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.