methyl 2-({3-nitro-2-methylbenzoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: methyl 2-({3-nitro-2-methylbenzoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 354541-95-0) is a chemical compound with molecular formula C19H20N2O5S and molecular weight 388.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-methyl-2-[(2-methyl-3-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: methyl 2-({3-nitro-2-methylbenzoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 6-methyl-2-[(2-methyl-3-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 6-methyl-2-{[(2-methyl-3-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 6-methyl-2-(2-methyl-3-nitrobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 6-methyl-2-[(2-methyl-3-nitrophenyl)carbonylamino]-4,5,6,7-tetrahydrobe nzo[b]thiophene-3-carboxylate
| Molecular Formula | C19H20N2O5S |
|---|---|
| Molecular Weight | 388.11 g/mol |
| LogP | 4.12842 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.10928 |
| Heavy Atoms | 27 |
| Complexity | 934.4215 |
Chemical Identifiers
| CAS Number | 354541-95-0 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C |
Product Overview
methyl 2-({3-nitro-2-methylbenzoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 354541-95-0), with molecular formula C19H20N2O5S and molecular weight 388.11 g/mol. IUPAC: methyl 6-methyl-2-[(2-methyl-3-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of methyl 2-({3-nitro-2-methylbenzoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of methyl 2-({3-nitro-2-methylbenzoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 4.12842 indicates that methyl 2-({3-nitro-2-methylbenzoyl}amino)-6-methyl-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 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-({3-nitro-2-methylbenzoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-({3-nitro-2-methylbenzoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 1 hydrogen bond donor(s) and 6 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 methyl 2-({3-nitro-2-methylbenzoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of methyl 2-({3-nitro-2-methylbenzoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 354541-95-0.
What is the molecular formula of methyl 2-({3-nitro-2-methylbenzoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of methyl 2-({3-nitro-2-methylbenzoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C19H20N2O5S.
What is the molecular weight of methyl 2-({3-nitro-2-methylbenzoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of methyl 2-({3-nitro-2-methylbenzoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 388.11 g/mol.
Where can I buy methyl 2-({3-nitro-2-methylbenzoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for methyl 2-({3-nitro-2-methylbenzoyl}amino)-6-methyl-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-({3-nitro-2-methylbenzoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({3-nitro-2-methylbenzoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.