![methyl 2-[[4-(difluoromethoxy)benzoyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/5128/512823-41-5.webp)
methyl 2-[[4-(difluoromethoxy)benzoyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: methyl 2-[[4-(difluoromethoxy)benzoyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 512823-41-5) is a chemical compound with molecular formula C23H27F2NO4S and molecular weight 451.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-(difluoromethoxy)benzoyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: methyl 2-[[4-(difluoromethoxy)benzoyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-{[4-(difluoromethoxy)benzoyl]amino}-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-({[4-(difluoromethoxy)phenyl]carbonyl}amino)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(4-(difluoromethoxy)benzamido)-6-(tert-pentyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, METHYL 2-{[4-(DIFLUOROMETHOXY)BENZOYL]AMINO}-6-(TERT-PENTYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C23H27F2NO4S |
|---|---|
| Molecular Weight | 451.16 g/mol |
| LogP | 5.9295 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.16287 |
| Heavy Atoms | 31 |
| Complexity | 953.23126 |
Chemical Identifiers
| CAS Number | 512823-41-5 |
|---|---|
| SMILES | CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=C(C=C3)OC(F)F |
Product Overview
methyl 2-[[4-(difluoromethoxy)benzoyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 512823-41-5), with molecular formula C23H27F2NO4S and molecular weight 451.16 g/mol. IUPAC: methyl 2-[[4-(difluoromethoxy)benzoyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of methyl 2-[[4-(difluoromethoxy)benzoyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of methyl 2-[[4-(difluoromethoxy)benzoyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 5.9295 indicates that methyl 2-[[4-(difluoromethoxy)benzoyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[[4-(difluoromethoxy)benzoyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-[[4-(difluoromethoxy)benzoyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-[[4-(difluoromethoxy)benzoyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of methyl 2-[[4-(difluoromethoxy)benzoyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 512823-41-5.
What is the molecular formula of methyl 2-[[4-(difluoromethoxy)benzoyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of methyl 2-[[4-(difluoromethoxy)benzoyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C23H27F2NO4S.
What is the molecular weight of methyl 2-[[4-(difluoromethoxy)benzoyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of methyl 2-[[4-(difluoromethoxy)benzoyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 451.16 g/mol.
Where can I buy methyl 2-[[4-(difluoromethoxy)benzoyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for methyl 2-[[4-(difluoromethoxy)benzoyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-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-[[4-(difluoromethoxy)benzoyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[[4-(difluoromethoxy)benzoyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.