![Isopropyl 4,5-dimethyl-2-[(4-methylbenzoyl)amino]-3-thiophenecarboxylate structure](/static/products/5415/541544-77-8.webp)
Isopropyl 4,5-dimethyl-2-[(4-methylbenzoyl)amino]-3-thiophenecarboxylate
TL;DR: Isopropyl 4,5-dimethyl-2-[(4-methylbenzoyl)amino]-3-thiophenecarboxylate (CAS 541544-77-8) is a chemical compound with molecular formula C18H21NO3S and molecular weight 331.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4,5-dimethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
Also Known As: isopropyl 4,5-dimethyl-2-[(4-methylbenzoyl)amino]-3-thiophenecarboxylate, propan-2-yl 4,5-dimethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate, ISOPROPYL 4,5-DIMETHYL-2-(4-METHYLBENZAMIDO)THIOPHENE-3-CARBOXYLATE, methylethyl 4,5-dimethyl-2-[(4-methylphenyl)carbonylamino]thiophene-3-carboxyl ate, propan-2-yl 4,5-dimethyl-2-{[(4-methylphenyl)carbonyl]amino}thiophene-3-carboxylate
| Molecular Formula | C18H21NO3S |
|---|---|
| Molecular Weight | 331.12 g/mol |
| LogP | 4.49086 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.1242 |
| Heavy Atoms | 23 |
| Complexity | 729.47015 |
Chemical Identifiers
| CAS Number | 541544-77-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC2=C(C(=C(S2)C)C)C(=O)OC(C)C |
Product Overview
Isopropyl 4,5-dimethyl-2-[(4-methylbenzoyl)amino]-3-thiophenecarboxylate (CAS 541544-77-8), with molecular formula C18H21NO3S and molecular weight 331.12 g/mol. IUPAC: propan-2-yl 4,5-dimethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of Isopropyl 4,5-dimethyl-2-[(4-methylbenzoyl)amino]-3-thiophenecarboxylate
Property Insights of Isopropyl 4,5-dimethyl-2-[(4-methylbenzoyl)amino]-3-thiophenecarboxylate
The XLogP value of 4.49086 indicates that Isopropyl 4,5-dimethyl-2-[(4-methylbenzoyl)amino]-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Isopropyl 4,5-dimethyl-2-[(4-methylbenzoyl)amino]-3-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 4,5-dimethyl-2-[(4-methylbenzoyl)amino]-3-thiophenecarboxylate 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 Isopropyl 4,5-dimethyl-2-[(4-methylbenzoyl)amino]-3-thiophenecarboxylate?
The CAS number of Isopropyl 4,5-dimethyl-2-[(4-methylbenzoyl)amino]-3-thiophenecarboxylate is 541544-77-8.
What is the molecular formula of Isopropyl 4,5-dimethyl-2-[(4-methylbenzoyl)amino]-3-thiophenecarboxylate?
The molecular formula of Isopropyl 4,5-dimethyl-2-[(4-methylbenzoyl)amino]-3-thiophenecarboxylate is C18H21NO3S.
What is the molecular weight of Isopropyl 4,5-dimethyl-2-[(4-methylbenzoyl)amino]-3-thiophenecarboxylate?
The molecular weight of Isopropyl 4,5-dimethyl-2-[(4-methylbenzoyl)amino]-3-thiophenecarboxylate is 331.12 g/mol.
Where can I buy Isopropyl 4,5-dimethyl-2-[(4-methylbenzoyl)amino]-3-thiophenecarboxylate?
You can request a quote for Isopropyl 4,5-dimethyl-2-[(4-methylbenzoyl)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 Isopropyl 4,5-dimethyl-2-[(4-methylbenzoyl)amino]-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 4,5-dimethyl-2-[(4-methylbenzoyl)amino]-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.