9-Benzoyl-N-methyl-2,3,4,9-tetrahydrothiopyrano(2,3-b)indole-4-methylamine oxalate
TL;DR: 9-Benzoyl-N-methyl-2,3,4,9-tetrahydrothiopyrano(2,3-b)indole-4-methylamine oxalate (CAS 73426-19-4) is a chemical compound with molecular formula C22H22N2O5S and molecular weight 426.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(methylaminomethyl)-3,4-dihydro-2H-thiopyrano[2,3-b]indol-9-yl]-phenylmethanone;oxalic acid
Also Known As: 9-Benzoyl-N-methyl-2,3,4,9-tetrahydrothiopyrano(2,3-b)indole-4-methylamine oxalate, 9-Benzoyl-4-((methylamino)methyl)-2,3,4,9-tetrahydrothiopyrano(2,3-b)indole oxalate, Thiopyrano(2,3-b)indole, 2,3,4,9-tetrahydro-9-benzoyl-4-((methylamino)methyl)-, oxalate, Thiopyrano(2,3-b)indole-4-methylamine, 2,3,4,9-tetrahydro-9-benzoyl-N-methyl-, oxalate, [4-(methylaminomethyl)-3,4-dihydro-2H-thiopyrano[2,3-b]indol-9-yl]-phenylmethanone; oxalic acid
| Molecular Formula | C22H22N2O5S |
|---|---|
| Molecular Weight | 426.12 g/mol |
| LogP | 3.2842 |
| Topological Polar Surface Area | 108.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 426.12494 |
| Heavy Atoms | 30 |
| Complexity | 1065.8263 |
Chemical Identifiers
| CAS Number | 73426-19-4 |
|---|---|
| SMILES | CNCC1CCSC2=C1C3=CC=CC=C3N2C(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O |
Product Overview
9-Benzoyl-N-methyl-2,3,4,9-tetrahydrothiopyrano(2,3-b)indole-4-methylamine oxalate (CAS 73426-19-4), with molecular formula C22H22N2O5S and molecular weight 426.12 g/mol. IUPAC: [4-(methylaminomethyl)-3,4-dihydro-2H-thiopyrano[2,3-b]indol-9-yl]-phenylmethanone;oxalic acid.
Chemical Property Profile of 9-Benzoyl-N-methyl-2,3,4,9-tetrahydrothiopyrano(2,3-b)indole-4-methylamine oxalate
Property Insights of 9-Benzoyl-N-methyl-2,3,4,9-tetrahydrothiopyrano(2,3-b)indole-4-methylamine oxalate
The XLogP value of 3.2842 indicates that 9-Benzoyl-N-methyl-2,3,4,9-tetrahydrothiopyrano(2,3-b)indole-4-methylamine oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Benzoyl-N-methyl-2,3,4,9-tetrahydrothiopyrano(2,3-b)indole-4-methylamine oxalate. Following Lipinski's Rule of Five, 9-Benzoyl-N-methyl-2,3,4,9-tetrahydrothiopyrano(2,3-b)indole-4-methylamine oxalate has 3 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 9-Benzoyl-N-methyl-2,3,4,9-tetrahydrothiopyrano(2,3-b)indole-4-methylamine oxalate?
The CAS number of 9-Benzoyl-N-methyl-2,3,4,9-tetrahydrothiopyrano(2,3-b)indole-4-methylamine oxalate is 73426-19-4.
What is the molecular formula of 9-Benzoyl-N-methyl-2,3,4,9-tetrahydrothiopyrano(2,3-b)indole-4-methylamine oxalate?
The molecular formula of 9-Benzoyl-N-methyl-2,3,4,9-tetrahydrothiopyrano(2,3-b)indole-4-methylamine oxalate is C22H22N2O5S.
What is the molecular weight of 9-Benzoyl-N-methyl-2,3,4,9-tetrahydrothiopyrano(2,3-b)indole-4-methylamine oxalate?
The molecular weight of 9-Benzoyl-N-methyl-2,3,4,9-tetrahydrothiopyrano(2,3-b)indole-4-methylamine oxalate is 426.12 g/mol.
Where can I buy 9-Benzoyl-N-methyl-2,3,4,9-tetrahydrothiopyrano(2,3-b)indole-4-methylamine oxalate?
You can request a quote for 9-Benzoyl-N-methyl-2,3,4,9-tetrahydrothiopyrano(2,3-b)indole-4-methylamine oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Benzoyl-N-methyl-2,3,4,9-tetrahydrothiopyrano(2,3-b)indole-4-methylamine oxalate?
Yes, KEHONG BIO provides custom synthesis services for 9-Benzoyl-N-methyl-2,3,4,9-tetrahydrothiopyrano(2,3-b)indole-4-methylamine oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.