1-Bromo-3-(isocyano(tosyl)methyl)benzene
TL;DR: 1-Bromo-3-(isocyano(tosyl)methyl)benzene (CAS 655256-70-5) is a chemical compound with molecular formula C15H12BrNO2S and molecular weight 348.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-3-[isocyano-(4-methylphenyl)sulfonylmethyl]benzene
Also Known As: 1-bromo-3-(isocyano(tosyl)methyl)benzene, a-Tosyl-(3-bromobenzyl) isocyanide, a-Tosyl-(3-bromobenzyl)isocyanide, -Tosyl-(3-bromobenzyl)isocyanide, 3-BROMO-1-[ISOCYANO-(TOLUENE-4-SULFONYL)-METHYL]-BENZENE
| Molecular Formula | C15H12BrNO2S |
|---|---|
| Molecular Weight | 348.98 g/mol |
| LogP | 4.14931 |
| Topological Polar Surface Area | 38.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.9772 |
| Heavy Atoms | 20 |
| Complexity | 761.2057 |
Chemical Identifiers
| CAS Number | 655256-70-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC(=CC=C2)Br)[N+]#[C-] |
Product Overview
1-Bromo-3-(isocyano(tosyl)methyl)benzene (CAS 655256-70-5), with molecular formula C15H12BrNO2S and molecular weight 348.98 g/mol. IUPAC: 1-bromo-3-[isocyano-(4-methylphenyl)sulfonylmethyl]benzene.
Chemical Property Profile of 1-Bromo-3-(isocyano(tosyl)methyl)benzene
Property Insights of 1-Bromo-3-(isocyano(tosyl)methyl)benzene
The XLogP value of 4.14931 indicates that 1-Bromo-3-(isocyano(tosyl)methyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.5 Ų, 1-Bromo-3-(isocyano(tosyl)methyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-3-(isocyano(tosyl)methyl)benzene has 0 hydrogen bond donor(s) and 2 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-Bromo-3-(isocyano(tosyl)methyl)benzene?
The CAS number of 1-Bromo-3-(isocyano(tosyl)methyl)benzene is 655256-70-5.
What is the molecular formula of 1-Bromo-3-(isocyano(tosyl)methyl)benzene?
The molecular formula of 1-Bromo-3-(isocyano(tosyl)methyl)benzene is C15H12BrNO2S.
What is the molecular weight of 1-Bromo-3-(isocyano(tosyl)methyl)benzene?
The molecular weight of 1-Bromo-3-(isocyano(tosyl)methyl)benzene is 348.98 g/mol.
Where can I buy 1-Bromo-3-(isocyano(tosyl)methyl)benzene?
You can request a quote for 1-Bromo-3-(isocyano(tosyl)methyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-3-(isocyano(tosyl)methyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-3-(isocyano(tosyl)methyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.