2-Bromo-2-(((4-methylphenyl)sulfonyl)methyl)-3,4-dihydro-1(2H)-naphthalenone
TL;DR: 2-Bromo-2-(((4-methylphenyl)sulfonyl)methyl)-3,4-dihydro-1(2H)-naphthalenone (CAS 72848-60-3) is a chemical compound with molecular formula C18H17BrO3S and molecular weight 392.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-2-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydronaphthalen-1-one
Also Known As: 2-Bromo-2-(((4-methylphenyl)sulfonyl)methyl)-3,4-dihydro-1(2H)-naphthalenone, 2-bromo-2-(p-tolylsulfonylmethyl)tetralin-1-one, 2-bromo-2-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydronaphth, 2-bromo-2-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydronaphthalen-1-one
| Molecular Formula | C18H17BrO3S |
|---|---|
| Molecular Weight | 392.01 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 392.00818 |
| Heavy Atoms | 23 |
| Complexity | 545.0 |
Chemical Identifiers
| CAS Number | 72848-60-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC2(CCC3=CC=CC=C3C2=O)Br |
| InChIKey | HLFWFYVMWBSMLM-UHFFFAOYSA-N |
Product Overview
2-Bromo-2-(((4-methylphenyl)sulfonyl)methyl)-3,4-dihydro-1(2H)-naphthalenone (CAS 72848-60-3), with molecular formula C18H17BrO3S and molecular weight 392.01 g/mol. IUPAC: 2-bromo-2-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydronaphthalen-1-one.
Chemical Property Profile of 2-Bromo-2-(((4-methylphenyl)sulfonyl)methyl)-3,4-dihydro-1(2H)-naphthalenone
Property Insights of 2-Bromo-2-(((4-methylphenyl)sulfonyl)methyl)-3,4-dihydro-1(2H)-naphthalenone
The XLogP value of 4.0 indicates that 2-Bromo-2-(((4-methylphenyl)sulfonyl)methyl)-3,4-dihydro-1(2H)-naphthalenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.6 Ų, 2-Bromo-2-(((4-methylphenyl)sulfonyl)methyl)-3,4-dihydro-1(2H)-naphthalenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-2-(((4-methylphenyl)sulfonyl)methyl)-3,4-dihydro-1(2H)-naphthalenone has 0 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-Bromo-2-(((4-methylphenyl)sulfonyl)methyl)-3,4-dihydro-1(2H)-naphthalenone?
The CAS number of 2-Bromo-2-(((4-methylphenyl)sulfonyl)methyl)-3,4-dihydro-1(2H)-naphthalenone is 72848-60-3.
What is the molecular formula of 2-Bromo-2-(((4-methylphenyl)sulfonyl)methyl)-3,4-dihydro-1(2H)-naphthalenone?
The molecular formula of 2-Bromo-2-(((4-methylphenyl)sulfonyl)methyl)-3,4-dihydro-1(2H)-naphthalenone is C18H17BrO3S.
What is the molecular weight of 2-Bromo-2-(((4-methylphenyl)sulfonyl)methyl)-3,4-dihydro-1(2H)-naphthalenone?
The molecular weight of 2-Bromo-2-(((4-methylphenyl)sulfonyl)methyl)-3,4-dihydro-1(2H)-naphthalenone is 392.01 g/mol.
Where can I buy 2-Bromo-2-(((4-methylphenyl)sulfonyl)methyl)-3,4-dihydro-1(2H)-naphthalenone?
You can request a quote for 2-Bromo-2-(((4-methylphenyl)sulfonyl)methyl)-3,4-dihydro-1(2H)-naphthalenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-2-(((4-methylphenyl)sulfonyl)methyl)-3,4-dihydro-1(2H)-naphthalenone?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-2-(((4-methylphenyl)sulfonyl)methyl)-3,4-dihydro-1(2H)-naphthalenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.