![methyl 2-[[6-tert-butyl-2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate structure](/static/products/407/407593-50-4.png)
methyl 2-[[6-tert-butyl-2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate
TL;DR: methyl 2-[[6-tert-butyl-2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate (CAS 407593-50-4) is a chemical compound with molecular formula C27H29N3O4S and molecular weight 491.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[6-tert-butyl-2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate
Also Known As: methyl 2-[[6-tert-butyl-2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate, methyl 2-[({6-tert-butyl-2-[(3-pyridinylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothien-3-yl}carbonyl)amino]benzoate
| Molecular Formula | C27H29N3O4S |
|---|---|
| Molecular Weight | 491.19 g/mol |
| LogP | 5.5853 |
| Topological Polar Surface Area | 97.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 491.18787 |
| Heavy Atoms | 35 |
| Complexity | 1261.1759 |
Chemical Identifiers
| CAS Number | 407593-50-4 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC=C3C(=O)OC)NC(=O)C4=CN=CC=C4 |
Product Overview
methyl 2-[[6-tert-butyl-2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate (CAS 407593-50-4), with molecular formula C27H29N3O4S and molecular weight 491.19 g/mol. IUPAC: methyl 2-[[6-tert-butyl-2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate.
Chemical Property Profile of methyl 2-[[6-tert-butyl-2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate
Property Insights of methyl 2-[[6-tert-butyl-2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate
The XLogP value of 5.5853 indicates that methyl 2-[[6-tert-butyl-2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.39 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[[6-tert-butyl-2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate. Following Lipinski's Rule of Five, methyl 2-[[6-tert-butyl-2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate 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 methyl 2-[[6-tert-butyl-2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate?
The CAS number of methyl 2-[[6-tert-butyl-2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate is 407593-50-4.
What is the molecular formula of methyl 2-[[6-tert-butyl-2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate?
The molecular formula of methyl 2-[[6-tert-butyl-2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate is C27H29N3O4S.
What is the molecular weight of methyl 2-[[6-tert-butyl-2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate?
The molecular weight of methyl 2-[[6-tert-butyl-2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate is 491.19 g/mol.
Where can I buy methyl 2-[[6-tert-butyl-2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate?
You can request a quote for methyl 2-[[6-tert-butyl-2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[[6-tert-butyl-2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[[6-tert-butyl-2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.