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1-[Nitro(phenylsulfonyl)methyl]-1,2,3,4-tetrahydroisoquinoline
TL;DR: 1-[Nitro(phenylsulfonyl)methyl]-1,2,3,4-tetrahydroisoquinoline (CAS 338421-01-5) 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.
1-[benzenesulfonyl(nitro)methyl]-1,2,3,4-tetrahydroisoquinoline
Also Known As: 1-[nitro(phenylsulfonyl)methyl]-1,2,3,4-tetrahydroisoquinoline, 1-[(benzenesulfonyl)(nitro)methyl]-1,2,3,4-tetrahydroisoquinoline, 1-[benzenesulfonyl(nitro)methyl]-1,2,3,4-tetrahydroisoquinoline, 4H-055, 1-(benzenesulfonyl-nitro-methyl)-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C16H16N2O4S |
|---|---|
| Molecular Weight | 332.08 g/mol |
| LogP | 1.9501 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.08307 |
| Heavy Atoms | 23 |
| Complexity | 820.9837 |
Chemical Identifiers
| CAS Number | 338421-01-5 |
|---|---|
| SMILES | C1CNC(C2=CC=CC=C21)C([N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3 |
Product Overview
1-[Nitro(phenylsulfonyl)methyl]-1,2,3,4-tetrahydroisoquinoline (CAS 338421-01-5), with molecular formula C16H16N2O4S and molecular weight 332.08 g/mol. IUPAC: 1-[benzenesulfonyl(nitro)methyl]-1,2,3,4-tetrahydroisoquinoline.
Chemical Property Profile of 1-[Nitro(phenylsulfonyl)methyl]-1,2,3,4-tetrahydroisoquinoline
Property Insights of 1-[Nitro(phenylsulfonyl)methyl]-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 1.9501 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[Nitro(phenylsulfonyl)methyl]-1,2,3,4-tetrahydroisoquinoline. The TPSA of 89.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[Nitro(phenylsulfonyl)methyl]-1,2,3,4-tetrahydroisoquinoline. Following Lipinski's Rule of Five, 1-[Nitro(phenylsulfonyl)methyl]-1,2,3,4-tetrahydroisoquinoline has 1 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 1-[Nitro(phenylsulfonyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 1-[Nitro(phenylsulfonyl)methyl]-1,2,3,4-tetrahydroisoquinoline is 338421-01-5.
What is the molecular formula of 1-[Nitro(phenylsulfonyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 1-[Nitro(phenylsulfonyl)methyl]-1,2,3,4-tetrahydroisoquinoline is C16H16N2O4S.
What is the molecular weight of 1-[Nitro(phenylsulfonyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 1-[Nitro(phenylsulfonyl)methyl]-1,2,3,4-tetrahydroisoquinoline is 332.08 g/mol.
Where can I buy 1-[Nitro(phenylsulfonyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 1-[Nitro(phenylsulfonyl)methyl]-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 1-[Nitro(phenylsulfonyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-[Nitro(phenylsulfonyl)methyl]-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.