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Methyl 2-[(2-methylbenzoyl)amino]-5-propan-2-yl-thiophene-3-carboxylate
TL;DR: Methyl 2-[(2-methylbenzoyl)amino]-5-propan-2-yl-thiophene-3-carboxylate (CAS 445007-92-1) is a chemical compound with molecular formula C17H19NO3S and molecular weight 317.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-methylbenzoyl)amino]-5-propan-2-ylthiophene-3-carboxylate
Also Known As: Methyl 2-[(2-methylbenzoyl)amino]-5-propan-2-yl-thiophene-3-carboxylate, methyl 2-[(2-methylbenzoyl)amino]-5-propan-2-ylthiophene-3-carboxylate, methyl 5-isopropyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylate, methyl 2-{[(2-methylphenyl)carbonyl]amino}-5-(propan-2-yl)thiophene-3-carboxylate, methyl 5-(methylethyl)-2-[(2-methylphenyl)carbonylamino]thiophene-3-carboxylat e
| Molecular Formula | C17H19NO3S |
|---|---|
| Molecular Weight | 317.11 g/mol |
| LogP | 4.21882 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.10855 |
| Heavy Atoms | 22 |
| Complexity | 703.6796 |
Chemical Identifiers
| CAS Number | 445007-92-1 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NC2=C(C=C(S2)C(C)C)C(=O)OC |
Product Overview
Methyl 2-[(2-methylbenzoyl)amino]-5-propan-2-yl-thiophene-3-carboxylate (CAS 445007-92-1), with molecular formula C17H19NO3S and molecular weight 317.11 g/mol. IUPAC: methyl 2-[(2-methylbenzoyl)amino]-5-propan-2-ylthiophene-3-carboxylate.
Chemical Property Profile of Methyl 2-[(2-methylbenzoyl)amino]-5-propan-2-yl-thiophene-3-carboxylate
Property Insights of Methyl 2-[(2-methylbenzoyl)amino]-5-propan-2-yl-thiophene-3-carboxylate
The XLogP value of 4.21882 indicates that Methyl 2-[(2-methylbenzoyl)amino]-5-propan-2-yl-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, Methyl 2-[(2-methylbenzoyl)amino]-5-propan-2-yl-thiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-[(2-methylbenzoyl)amino]-5-propan-2-yl-thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 4 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 2-[(2-methylbenzoyl)amino]-5-propan-2-yl-thiophene-3-carboxylate?
The CAS number of Methyl 2-[(2-methylbenzoyl)amino]-5-propan-2-yl-thiophene-3-carboxylate is 445007-92-1.
What is the molecular formula of Methyl 2-[(2-methylbenzoyl)amino]-5-propan-2-yl-thiophene-3-carboxylate?
The molecular formula of Methyl 2-[(2-methylbenzoyl)amino]-5-propan-2-yl-thiophene-3-carboxylate is C17H19NO3S.
What is the molecular weight of Methyl 2-[(2-methylbenzoyl)amino]-5-propan-2-yl-thiophene-3-carboxylate?
The molecular weight of Methyl 2-[(2-methylbenzoyl)amino]-5-propan-2-yl-thiophene-3-carboxylate is 317.11 g/mol.
Where can I buy Methyl 2-[(2-methylbenzoyl)amino]-5-propan-2-yl-thiophene-3-carboxylate?
You can request a quote for Methyl 2-[(2-methylbenzoyl)amino]-5-propan-2-yl-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 Methyl 2-[(2-methylbenzoyl)amino]-5-propan-2-yl-thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(2-methylbenzoyl)amino]-5-propan-2-yl-thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.