![Isopropyl 2-[(3-iodobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylate structure](/static/products/4450/445004-98-8.webp)
Isopropyl 2-[(3-iodobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
TL;DR: Isopropyl 2-[(3-iodobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylate (CAS 445004-98-8) is a chemical compound with molecular formula C17H18INO3S and molecular weight 443.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[(3-iodobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: isopropyl 2-[(3-iodobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylate, propan-2-yl 2-[(3-iodobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate, ISOPROPYL 2-(3-IODOBENZAMIDO)-4,5-DIMETHYLTHIOPHENE-3-CARBOXYLATE, propan-2-yl 2-{[(3-iodophenyl)carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C17H18INO3S |
|---|---|
| Molecular Weight | 443.01 g/mol |
| LogP | 4.78704 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.00522 |
| Heavy Atoms | 23 |
| Complexity | 752.29193 |
Chemical Identifiers
| CAS Number | 445004-98-8 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=CC(=CC=C2)I)C |
Product Overview
Isopropyl 2-[(3-iodobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylate (CAS 445004-98-8), with molecular formula C17H18INO3S and molecular weight 443.01 g/mol. IUPAC: propan-2-yl 2-[(3-iodobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of Isopropyl 2-[(3-iodobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
Property Insights of Isopropyl 2-[(3-iodobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
The XLogP value of 4.78704 indicates that Isopropyl 2-[(3-iodobenzoyl)amino]-4,5-dimethyl-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 2-[(3-iodobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 2-[(3-iodobenzoyl)amino]-4,5-dimethyl-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 2-[(3-iodobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylate?
The CAS number of Isopropyl 2-[(3-iodobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylate is 445004-98-8.
What is the molecular formula of Isopropyl 2-[(3-iodobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylate?
The molecular formula of Isopropyl 2-[(3-iodobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylate is C17H18INO3S.
What is the molecular weight of Isopropyl 2-[(3-iodobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylate?
The molecular weight of Isopropyl 2-[(3-iodobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylate is 443.01 g/mol.
Where can I buy Isopropyl 2-[(3-iodobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylate?
You can request a quote for Isopropyl 2-[(3-iodobenzoyl)amino]-4,5-dimethyl-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 2-[(3-iodobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 2-[(3-iodobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.