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Ethyl 4,5-dimethyl-2-{[(phenylsulfanyl)acetyl]amino}-3-thiophenecarboxylate
TL;DR: Ethyl 4,5-dimethyl-2-{[(phenylsulfanyl)acetyl]amino}-3-thiophenecarboxylate (CAS 309286-80-4) is a chemical compound with molecular formula C17H19NO3S2 and molecular weight 349.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,5-dimethyl-2-[(2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate
Also Known As: BAS 01181142, AE-848/13008318, BRD-K04311148-001-01-3, ethyl 4,5-dimethyl-2-(2-(phenylthio)acetamido)thiophene-3-carboxylate, ethyl 4,5-dimethyl-2-[(2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate
| Molecular Formula | C17H19NO3S2 |
|---|---|
| Molecular Weight | 349.08 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 349.08063 |
| Heavy Atoms | 23 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 309286-80-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=CC=CC=C2 |
| InChIKey | RHGKMOQEQVQATP-UHFFFAOYSA-N |
Product Overview
Ethyl 4,5-dimethyl-2-{[(phenylsulfanyl)acetyl]amino}-3-thiophenecarboxylate (CAS 309286-80-4), with molecular formula C17H19NO3S2 and molecular weight 349.08 g/mol. IUPAC: ethyl 4,5-dimethyl-2-[(2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of Ethyl 4,5-dimethyl-2-{[(phenylsulfanyl)acetyl]amino}-3-thiophenecarboxylate
Property Insights of Ethyl 4,5-dimethyl-2-{[(phenylsulfanyl)acetyl]amino}-3-thiophenecarboxylate
The XLogP value of 4.9 indicates that Ethyl 4,5-dimethyl-2-{[(phenylsulfanyl)acetyl]amino}-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4,5-dimethyl-2-{[(phenylsulfanyl)acetyl]amino}-3-thiophenecarboxylate. Following Lipinski's Rule of Five, Ethyl 4,5-dimethyl-2-{[(phenylsulfanyl)acetyl]amino}-3-thiophenecarboxylate 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 Ethyl 4,5-dimethyl-2-{[(phenylsulfanyl)acetyl]amino}-3-thiophenecarboxylate?
The CAS number of Ethyl 4,5-dimethyl-2-{[(phenylsulfanyl)acetyl]amino}-3-thiophenecarboxylate is 309286-80-4.
What is the molecular formula of Ethyl 4,5-dimethyl-2-{[(phenylsulfanyl)acetyl]amino}-3-thiophenecarboxylate?
The molecular formula of Ethyl 4,5-dimethyl-2-{[(phenylsulfanyl)acetyl]amino}-3-thiophenecarboxylate is C17H19NO3S2.
What is the molecular weight of Ethyl 4,5-dimethyl-2-{[(phenylsulfanyl)acetyl]amino}-3-thiophenecarboxylate?
The molecular weight of Ethyl 4,5-dimethyl-2-{[(phenylsulfanyl)acetyl]amino}-3-thiophenecarboxylate is 349.08 g/mol.
Where can I buy Ethyl 4,5-dimethyl-2-{[(phenylsulfanyl)acetyl]amino}-3-thiophenecarboxylate?
You can request a quote for Ethyl 4,5-dimethyl-2-{[(phenylsulfanyl)acetyl]amino}-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4,5-dimethyl-2-{[(phenylsulfanyl)acetyl]amino}-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4,5-dimethyl-2-{[(phenylsulfanyl)acetyl]amino}-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.