![isopropyl 5-(anilinocarbonyl)-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-3-thiophenecarboxylate structure](/static/products/4382/438211-66-6.webp)
isopropyl 5-(anilinocarbonyl)-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-3-thiophenecarboxylate
TL;DR: isopropyl 5-(anilinocarbonyl)-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-3-thiophenecarboxylate (CAS 438211-66-6) is a chemical compound with molecular formula C26H28N2O4S2 and molecular weight 496.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-methyl-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-5-(phenylcarbamoyl)thiophene-3-carboxylate
Also Known As: isopropyl 5-(anilinocarbonyl)-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-3-thiophenecarboxylate, propan-2-yl 4-methyl-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-5-(phenylcarbamoyl)thiophene-3-carboxylate, propan-2-yl 4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]amino}-5-(phenylcarbamoyl)thiophene-3-carboxylate, ISOPROPYL 4-METHYL-2-(6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-AMIDO)-5-(PHENYLCARBAMOYL)THIOPHENE-3-CARBOXYLATE, isopropyl 4-methyl-2-(6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamido)-5-(phenylcarbamoyl)thiophene-3-carboxylate
| Molecular Formula | C26H28N2O4S2 |
|---|---|
| Molecular Weight | 496.15 g/mol |
| LogP | 6.31262 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.14905 |
| Heavy Atoms | 34 |
| Complexity | 1227.1589 |
Chemical Identifiers
| CAS Number | 438211-66-6 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC=C2C(=O)NC3=C(C(=C(S3)C(=O)NC4=CC=CC=C4)C)C(=O)OC(C)C |
Product Overview
isopropyl 5-(anilinocarbonyl)-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-3-thiophenecarboxylate (CAS 438211-66-6), with molecular formula C26H28N2O4S2 and molecular weight 496.15 g/mol. IUPAC: propan-2-yl 4-methyl-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-5-(phenylcarbamoyl)thiophene-3-carboxylate.
Chemical Property Profile of isopropyl 5-(anilinocarbonyl)-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-3-thiophenecarboxylate
Property Insights of isopropyl 5-(anilinocarbonyl)-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-3-thiophenecarboxylate
The XLogP value of 6.31262 indicates that isopropyl 5-(anilinocarbonyl)-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 5-(anilinocarbonyl)-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-3-thiophenecarboxylate. Following Lipinski's Rule of Five, isopropyl 5-(anilinocarbonyl)-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-3-thiophenecarboxylate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of isopropyl 5-(anilinocarbonyl)-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-3-thiophenecarboxylate?
The CAS number of isopropyl 5-(anilinocarbonyl)-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-3-thiophenecarboxylate is 438211-66-6.
What is the molecular formula of isopropyl 5-(anilinocarbonyl)-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-3-thiophenecarboxylate?
The molecular formula of isopropyl 5-(anilinocarbonyl)-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-3-thiophenecarboxylate is C26H28N2O4S2.
What is the molecular weight of isopropyl 5-(anilinocarbonyl)-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-3-thiophenecarboxylate?
The molecular weight of isopropyl 5-(anilinocarbonyl)-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-3-thiophenecarboxylate is 496.15 g/mol.
Where can I buy isopropyl 5-(anilinocarbonyl)-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-3-thiophenecarboxylate?
You can request a quote for isopropyl 5-(anilinocarbonyl)-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]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 5-(anilinocarbonyl)-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 5-(anilinocarbonyl)-4-methyl-2-{[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.