5-(o-Nitrobenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate
TL;DR: 5-(o-Nitrobenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate (CAS 83427-68-3) is a chemical compound with molecular formula C16H16N2O7S and molecular weight 380.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-nitrophenyl)methyl]-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one;oxalic acid
Also Known As: 5-(o-Nitrobenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate, o-Nitrobenzyl-5 tetrahydro-5,6,7,7a 4H-thieno(3,2-c)pyridinone-2 oxalate [French], Thieno(3,2-c)pyridin-2(4H)-one, 5,6,7,7a-tetrahydro-5-((2-nitrophenyl)methyl)-, ethanedioate, o-Nitrobenzyl-5 tetrahydro-5,6,7,7a 4H-thieno(3,2-c)pyridinone-2 oxalate, Thieno(3,2-c)pyridin-2(7aH)-one, 4,5,6,7-tetrahydro-5-((2-nitrophenyl)methyl)-, ethanedioate (1:1)
| Molecular Formula | C16H16N2O7S |
|---|---|
| Molecular Weight | 380.07 g/mol |
| LogP | 1.5245 |
| Topological Polar Surface Area | 138.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.0678 |
| Heavy Atoms | 26 |
| Complexity | 765.6167 |
Chemical Identifiers
| CAS Number | 83427-68-3 |
|---|---|
| SMILES | C1CN(CC2=CC(=O)SC21)CC3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)O)O |
Product Overview
5-(o-Nitrobenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate (CAS 83427-68-3), with molecular formula C16H16N2O7S and molecular weight 380.07 g/mol. IUPAC: 5-[(2-nitrophenyl)methyl]-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one;oxalic acid.
Chemical Property Profile of 5-(o-Nitrobenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate
Property Insights of 5-(o-Nitrobenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate
The XLogP value of 1.5245 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(o-Nitrobenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate. The TPSA of 138.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(o-Nitrobenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate. Following Lipinski's Rule of Five, 5-(o-Nitrobenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate 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 5-(o-Nitrobenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate?
The CAS number of 5-(o-Nitrobenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate is 83427-68-3.
What is the molecular formula of 5-(o-Nitrobenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate?
The molecular formula of 5-(o-Nitrobenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate is C16H16N2O7S.
What is the molecular weight of 5-(o-Nitrobenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate?
The molecular weight of 5-(o-Nitrobenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate is 380.07 g/mol.
Where can I buy 5-(o-Nitrobenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate?
You can request a quote for 5-(o-Nitrobenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(o-Nitrobenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate?
Yes, KEHONG BIO provides custom synthesis services for 5-(o-Nitrobenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.