![methyl 2-({[3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]carbonyl}amino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/438/438531-95-4.png)
methyl 2-({[3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]carbonyl}amino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: methyl 2-({[3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]carbonyl}amino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 438531-95-4) is a chemical compound with molecular formula C24H27F2N3O3S2 and molecular weight 507.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carbonyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: methyl 2-({[3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]carbonyl}amino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[[3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carbonyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, METHYL 2-({[3-AMINO-6-(DIFLUOROMETHYL)-4-METHYLTHIENO[2,3-B]PYRIDIN-2-YL]CARBONYL}AMINO)-6-(TERT-BUTYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C24H27F2N3O3S2 |
|---|---|
| Molecular Weight | 507.15 g/mol |
| LogP | 6.37592 |
| Topological Polar Surface Area | 94.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 507.14618 |
| Heavy Atoms | 34 |
| Complexity | 1291.0845 |
Chemical Identifiers
| CAS Number | 438531-95-4 |
|---|---|
| SMILES | CC1=CC(=NC2=C1C(=C(S2)C(=O)NC3=C(C4=C(S3)CC(CC4)C(C)(C)C)C(=O)OC)N)C(F)F |
Product Overview
methyl 2-({[3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]carbonyl}amino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 438531-95-4), with molecular formula C24H27F2N3O3S2 and molecular weight 507.15 g/mol. IUPAC: methyl 2-[[3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carbonyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of methyl 2-({[3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]carbonyl}amino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of methyl 2-({[3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]carbonyl}amino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 6.37592 indicates that methyl 2-({[3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]carbonyl}amino)-6-tert-butyl-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 94.31 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-({[3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]carbonyl}amino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-({[3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]carbonyl}amino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate 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 methyl 2-({[3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]carbonyl}amino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of methyl 2-({[3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]carbonyl}amino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 438531-95-4.
What is the molecular formula of methyl 2-({[3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]carbonyl}amino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of methyl 2-({[3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]carbonyl}amino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C24H27F2N3O3S2.
What is the molecular weight of methyl 2-({[3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]carbonyl}amino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of methyl 2-({[3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]carbonyl}amino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 507.15 g/mol.
Where can I buy methyl 2-({[3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]carbonyl}amino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for methyl 2-({[3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]carbonyl}amino)-6-tert-butyl-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-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]carbonyl}amino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({[3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]carbonyl}amino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.