![2-[(4-Methyl-3-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline structure](/static/products/3139/313981-54-3.webp)
2-[(4-Methyl-3-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
TL;DR: 2-[(4-Methyl-3-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline (CAS 313981-54-3) is a chemical compound with molecular formula C16H16N2O4S and molecular weight 332.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methyl-3-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
Also Known As: BAS 00501402, 2-[(4-methyl-3-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline, 2-(4-methyl-3-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline, 1-methyl-2-nitro-4-(2-1,2,3,4-tetrahydroisoquinolylsulfonyl)benzene, 2-(4-Methyl-3-nitro-benzenesulfonyl)-1,2,3,4-tetrahydro-isoquinoline
| Molecular Formula | C16H16N2O4S |
|---|---|
| Molecular Weight | 332.08 g/mol |
| LogP | 2.65022 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.08307 |
| Heavy Atoms | 23 |
| Complexity | 877.399 |
Chemical Identifiers
| CAS Number | 313981-54-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)[N+](=O)[O-] |
Product Overview
2-[(4-Methyl-3-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline (CAS 313981-54-3), with molecular formula C16H16N2O4S and molecular weight 332.08 g/mol. IUPAC: 2-(4-methyl-3-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline.
Chemical Property Profile of 2-[(4-Methyl-3-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
Property Insights of 2-[(4-Methyl-3-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 2.65022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Methyl-3-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Methyl-3-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline. Following Lipinski's Rule of Five, 2-[(4-Methyl-3-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline has 0 hydrogen bond donor(s) and 4 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-[(4-Methyl-3-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 2-[(4-Methyl-3-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline is 313981-54-3.
What is the molecular formula of 2-[(4-Methyl-3-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 2-[(4-Methyl-3-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline is C16H16N2O4S.
What is the molecular weight of 2-[(4-Methyl-3-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 2-[(4-Methyl-3-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline is 332.08 g/mol.
Where can I buy 2-[(4-Methyl-3-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 2-[(4-Methyl-3-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Methyl-3-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Methyl-3-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.