5-(o-Methylbenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate
TL;DR: 5-(o-Methylbenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate (CAS 83446-90-6) is a chemical compound with molecular formula C17H19NO5S and molecular weight 349.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-methylphenyl)methyl]-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one;oxalic acid
Also Known As: 5-(o-Methylbenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate, o-Methylbenzyl-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-methylphenyl)methyl)-, ethanedioate, o-Methylbenzyl-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-methylphenyl)methyl)-, ethanedioate (1:1)
| Molecular Formula | C17H19NO5S |
|---|---|
| Molecular Weight | 349.10 g/mol |
| LogP | 1.92472 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.0984 |
| Heavy Atoms | 24 |
| Complexity | 673.3134 |
Chemical Identifiers
| CAS Number | 83446-90-6 |
|---|---|
| SMILES | CC1=CC=CC=C1CN2CCC3C(=CC(=O)S3)C2.C(=O)(C(=O)O)O |
Product Overview
5-(o-Methylbenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate (CAS 83446-90-6), with molecular formula C17H19NO5S and molecular weight 349.10 g/mol. IUPAC: 5-[(2-methylphenyl)methyl]-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one;oxalic acid.
Chemical Property Profile of 5-(o-Methylbenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate
Property Insights of 5-(o-Methylbenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate
The XLogP value of 1.92472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(o-Methylbenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate. The TPSA of 94.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(o-Methylbenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate. Following Lipinski's Rule of Five, 5-(o-Methylbenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate has 2 hydrogen bond donor(s) and 5 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-Methylbenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate?
The CAS number of 5-(o-Methylbenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate is 83446-90-6.
What is the molecular formula of 5-(o-Methylbenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate?
The molecular formula of 5-(o-Methylbenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate is C17H19NO5S.
What is the molecular weight of 5-(o-Methylbenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate?
The molecular weight of 5-(o-Methylbenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate is 349.10 g/mol.
Where can I buy 5-(o-Methylbenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate?
You can request a quote for 5-(o-Methylbenzyl)-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-Methylbenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate?
Yes, KEHONG BIO provides custom synthesis services for 5-(o-Methylbenzyl)-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.