2-Acetyl-1,2,3,4-tetrahydroisoquinoline-7-sulphonamide
TL;DR: 2-Acetyl-1,2,3,4-tetrahydroisoquinoline-7-sulphonamide (CAS 31404-59-8) is a chemical compound with molecular formula C11H14N2O3S and molecular weight 254.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
Also Known As: EINECS 250-616-0, 2-ACETYL-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE, 2-Acetyl-1,2,3,4-tetrahydroisoquinoline-7-sulphonamide, 2-acetyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide, 7-Isoquinolinesulfonamide,2-acetyl-1,2,3,4-tetrahydro-
| Molecular Formula | C11H14N2O3S |
|---|---|
| Molecular Weight | 254.07 g/mol |
| LogP | 0.2386 |
| Topological Polar Surface Area | 80.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.07251 |
| Heavy Atoms | 17 |
| Complexity | 566.07935 |
Chemical Identifiers
| CAS Number | 31404-59-8 |
|---|---|
| SMILES | CC(=O)N1CCC2=C(C1)C=C(C=C2)S(=O)(=O)N |
Product Overview
2-Acetyl-1,2,3,4-tetrahydroisoquinoline-7-sulphonamide (CAS 31404-59-8), with molecular formula C11H14N2O3S and molecular weight 254.07 g/mol. IUPAC: 2-acetyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide.
Chemical Property Profile of 2-Acetyl-1,2,3,4-tetrahydroisoquinoline-7-sulphonamide
Property Insights of 2-Acetyl-1,2,3,4-tetrahydroisoquinoline-7-sulphonamide
The XLogP value of 0.2386 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetyl-1,2,3,4-tetrahydroisoquinoline-7-sulphonamide. The TPSA of 80.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetyl-1,2,3,4-tetrahydroisoquinoline-7-sulphonamide. Following Lipinski's Rule of Five, 2-Acetyl-1,2,3,4-tetrahydroisoquinoline-7-sulphonamide has 1 hydrogen bond donor(s) and 3 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 2-Acetyl-1,2,3,4-tetrahydroisoquinoline-7-sulphonamide?
The CAS number of 2-Acetyl-1,2,3,4-tetrahydroisoquinoline-7-sulphonamide is 31404-59-8.
What is the molecular formula of 2-Acetyl-1,2,3,4-tetrahydroisoquinoline-7-sulphonamide?
The molecular formula of 2-Acetyl-1,2,3,4-tetrahydroisoquinoline-7-sulphonamide is C11H14N2O3S.
What is the molecular weight of 2-Acetyl-1,2,3,4-tetrahydroisoquinoline-7-sulphonamide?
The molecular weight of 2-Acetyl-1,2,3,4-tetrahydroisoquinoline-7-sulphonamide is 254.07 g/mol.
Where can I buy 2-Acetyl-1,2,3,4-tetrahydroisoquinoline-7-sulphonamide?
You can request a quote for 2-Acetyl-1,2,3,4-tetrahydroisoquinoline-7-sulphonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetyl-1,2,3,4-tetrahydroisoquinoline-7-sulphonamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-1,2,3,4-tetrahydroisoquinoline-7-sulphonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.