![isopropyl 2-{[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-5-[(2-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate structure](/static/products/4382/438227-27-1.webp)
isopropyl 2-{[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-5-[(2-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate
TL;DR: isopropyl 2-{[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-5-[(2-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate (CAS 438227-27-1) is a chemical compound with molecular formula C30H36N2O5S2 and molecular weight 568.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
Also Known As: isopropyl 2-{[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-5-[(2-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate, propan-2-yl 2-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate, propan-2-yl 2-{[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]amino}-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate, isopropyl 2-(6-(tert-butyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamido)-5-((2-methoxyphenyl)carbamoyl)-4-methylthiophene-3-carboxylate, methylethyl 2-{[6-(tert-butyl)(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)]carbon ylamino}-5-[N-(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
| Molecular Formula | C30H36N2O5S2 |
|---|---|
| Molecular Weight | 568.21 g/mol |
| LogP | 7.34742 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 568.20654 |
| Heavy Atoms | 39 |
| Complexity | 1396.7026 |
Chemical Identifiers
| CAS Number | 438227-27-1 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=CSC3=C2CCC(C3)C(C)(C)C)C(=O)NC4=CC=CC=C4OC |
Product Overview
isopropyl 2-{[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-5-[(2-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate (CAS 438227-27-1), with molecular formula C30H36N2O5S2 and molecular weight 568.21 g/mol. IUPAC: propan-2-yl 2-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of isopropyl 2-{[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-5-[(2-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate
Property Insights of isopropyl 2-{[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-5-[(2-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate
The XLogP value of 7.34742 indicates that isopropyl 2-{[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-5-[(2-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 2-{[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-5-[(2-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate. Following Lipinski's Rule of Five, isopropyl 2-{[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-5-[(2-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of isopropyl 2-{[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-5-[(2-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate?
The CAS number of isopropyl 2-{[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-5-[(2-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate is 438227-27-1.
What is the molecular formula of isopropyl 2-{[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-5-[(2-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate?
The molecular formula of isopropyl 2-{[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-5-[(2-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate is C30H36N2O5S2.
What is the molecular weight of isopropyl 2-{[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-5-[(2-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate?
The molecular weight of isopropyl 2-{[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-5-[(2-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate is 568.21 g/mol.
Where can I buy isopropyl 2-{[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-5-[(2-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate?
You can request a quote for isopropyl 2-{[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-5-[(2-methoxyanilino)carbonyl]-4-methyl-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-{[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-5-[(2-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-{[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]amino}-5-[(2-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.