Methylethyl 5-methyl-2-(2-phenylthioacetylamino)thiophene-3-carboxylate
TL;DR: Methylethyl 5-methyl-2-(2-phenylthioacetylamino)thiophene-3-carboxylate (CAS 524928-82-3) 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.
propan-2-yl 5-methyl-2-[(2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate
Also Known As: isopropyl 5-methyl-2-(2-(phenylthio)acetamido)thiophene-3-carboxylate, methylethyl 5-methyl-2-(2-phenylthioacetylamino)thiophene-3-carboxylate, propan-2-yl 5-methyl-2-[(2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate, propan-2-yl 5-methyl-2-{[(phenylsulfanyl)acetyl]amino}thiophene-3-carboxylate
| Molecular Formula | C17H19NO3S2 |
|---|---|
| Molecular Weight | 349.08 g/mol |
| LogP | 4.35252 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.08063 |
| Heavy Atoms | 23 |
| Complexity | 680.40186 |
Chemical Identifiers
| CAS Number | 524928-82-3 |
|---|---|
| SMILES | CC1=CC(=C(S1)NC(=O)CSC2=CC=CC=C2)C(=O)OC(C)C |
Product Overview
Methylethyl 5-methyl-2-(2-phenylthioacetylamino)thiophene-3-carboxylate (CAS 524928-82-3), with molecular formula C17H19NO3S2 and molecular weight 349.08 g/mol. IUPAC: propan-2-yl 5-methyl-2-[(2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of Methylethyl 5-methyl-2-(2-phenylthioacetylamino)thiophene-3-carboxylate
Property Insights of Methylethyl 5-methyl-2-(2-phenylthioacetylamino)thiophene-3-carboxylate
The XLogP value of 4.35252 indicates that Methylethyl 5-methyl-2-(2-phenylthioacetylamino)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Methylethyl 5-methyl-2-(2-phenylthioacetylamino)thiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methylethyl 5-methyl-2-(2-phenylthioacetylamino)thiophene-3-carboxylate 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 Methylethyl 5-methyl-2-(2-phenylthioacetylamino)thiophene-3-carboxylate?
The CAS number of Methylethyl 5-methyl-2-(2-phenylthioacetylamino)thiophene-3-carboxylate is 524928-82-3.
What is the molecular formula of Methylethyl 5-methyl-2-(2-phenylthioacetylamino)thiophene-3-carboxylate?
The molecular formula of Methylethyl 5-methyl-2-(2-phenylthioacetylamino)thiophene-3-carboxylate is C17H19NO3S2.
What is the molecular weight of Methylethyl 5-methyl-2-(2-phenylthioacetylamino)thiophene-3-carboxylate?
The molecular weight of Methylethyl 5-methyl-2-(2-phenylthioacetylamino)thiophene-3-carboxylate is 349.08 g/mol.
Where can I buy Methylethyl 5-methyl-2-(2-phenylthioacetylamino)thiophene-3-carboxylate?
You can request a quote for Methylethyl 5-methyl-2-(2-phenylthioacetylamino)thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylethyl 5-methyl-2-(2-phenylthioacetylamino)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methylethyl 5-methyl-2-(2-phenylthioacetylamino)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.