![methyl 5,5,7,7-tetramethyl-2-(2-nitrobenzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate structure](/static/products/864/864860-26-4.png)
methyl 5,5,7,7-tetramethyl-2-(2-nitrobenzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
TL;DR: methyl 5,5,7,7-tetramethyl-2-(2-nitrobenzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate (CAS 864860-26-4) is a chemical compound with molecular formula C20H23N3O5S and molecular weight 417.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5,5,7,7-tetramethyl-2-[(2-nitrobenzoyl)amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
Also Known As: methyl 5,5,7,7-tetramethyl-2-(2-nitrobenzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate, methyl 5,5,7,7-tetramethyl-2-(2-nitrobenzamido)-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate, methyl 5,5,7,7-tetramethyl-2-[(2-nitrobenzoyl)amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate, methyl 5,5,7,7-tetramethyl-2-(o-nitrobenzylamino)-1-thia-6-aza-4,5,6,7-tetrahydro-3-indenecarboxylate
| Molecular Formula | C20H23N3O5S |
|---|---|
| Molecular Weight | 417.14 g/mol |
| LogP | 3.8546 |
| Topological Polar Surface Area | 110.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.13583 |
| Heavy Atoms | 29 |
| Complexity | 1009.5408 |
Chemical Identifiers
| CAS Number | 864860-26-4 |
|---|---|
| SMILES | CC1(CC2=C(C(N1)(C)C)SC(=C2C(=O)OC)NC(=O)C3=CC=CC=C3[N+](=O)[O-])C |
Product Overview
methyl 5,5,7,7-tetramethyl-2-(2-nitrobenzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate (CAS 864860-26-4), with molecular formula C20H23N3O5S and molecular weight 417.14 g/mol. IUPAC: methyl 5,5,7,7-tetramethyl-2-[(2-nitrobenzoyl)amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate.
Chemical Property Profile of methyl 5,5,7,7-tetramethyl-2-(2-nitrobenzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
Property Insights of methyl 5,5,7,7-tetramethyl-2-(2-nitrobenzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
The XLogP value of 3.8546 indicates that methyl 5,5,7,7-tetramethyl-2-(2-nitrobenzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.57 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5,5,7,7-tetramethyl-2-(2-nitrobenzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate. Following Lipinski's Rule of Five, methyl 5,5,7,7-tetramethyl-2-(2-nitrobenzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate has 2 hydrogen bond donor(s) and 7 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 5,5,7,7-tetramethyl-2-(2-nitrobenzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate?
The CAS number of methyl 5,5,7,7-tetramethyl-2-(2-nitrobenzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate is 864860-26-4.
What is the molecular formula of methyl 5,5,7,7-tetramethyl-2-(2-nitrobenzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate?
The molecular formula of methyl 5,5,7,7-tetramethyl-2-(2-nitrobenzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate is C20H23N3O5S.
What is the molecular weight of methyl 5,5,7,7-tetramethyl-2-(2-nitrobenzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate?
The molecular weight of methyl 5,5,7,7-tetramethyl-2-(2-nitrobenzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate is 417.14 g/mol.
Where can I buy methyl 5,5,7,7-tetramethyl-2-(2-nitrobenzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate?
You can request a quote for methyl 5,5,7,7-tetramethyl-2-(2-nitrobenzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-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 5,5,7,7-tetramethyl-2-(2-nitrobenzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5,5,7,7-tetramethyl-2-(2-nitrobenzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.