1-Chloro-2-(isocyano(tosyl)methyl)benzene
TL;DR: 1-Chloro-2-(isocyano(tosyl)methyl)benzene (CAS 1029104-34-4) is a chemical compound with molecular formula C15H12ClNO2S and molecular weight 305.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2-[isocyano-(4-methylphenyl)sulfonylmethyl]benzene
Also Known As: 1-Chloro-2-(isocyano(tosyl)methyl)benzene, a-Tosyl-(2-chlorobenzyl)isocyanide, A-TOSYL-(2-CHLOROBENZYL) ISOCYANIDE, 2-Chloro-1-[isocyano(toluene-4-sulphonyl)]methylbenzene, 0695AA
| Molecular Formula | C15H12ClNO2S |
|---|---|
| Molecular Weight | 305.03 g/mol |
| LogP | 4.04021 |
| Topological Polar Surface Area | 38.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.02774 |
| Heavy Atoms | 20 |
| Complexity | 761.2057 |
Chemical Identifiers
| CAS Number | 1029104-34-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=CC=C2Cl)[N+]#[C-] |
Product Overview
1-Chloro-2-(isocyano(tosyl)methyl)benzene (CAS 1029104-34-4), with molecular formula C15H12ClNO2S and molecular weight 305.03 g/mol. IUPAC: 1-chloro-2-[isocyano-(4-methylphenyl)sulfonylmethyl]benzene.
Chemical Property Profile of 1-Chloro-2-(isocyano(tosyl)methyl)benzene
Property Insights of 1-Chloro-2-(isocyano(tosyl)methyl)benzene
The XLogP value of 4.04021 indicates that 1-Chloro-2-(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-Chloro-2-(isocyano(tosyl)methyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-2-(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-Chloro-2-(isocyano(tosyl)methyl)benzene?
The CAS number of 1-Chloro-2-(isocyano(tosyl)methyl)benzene is 1029104-34-4.
What is the molecular formula of 1-Chloro-2-(isocyano(tosyl)methyl)benzene?
The molecular formula of 1-Chloro-2-(isocyano(tosyl)methyl)benzene is C15H12ClNO2S.
What is the molecular weight of 1-Chloro-2-(isocyano(tosyl)methyl)benzene?
The molecular weight of 1-Chloro-2-(isocyano(tosyl)methyl)benzene is 305.03 g/mol.
Where can I buy 1-Chloro-2-(isocyano(tosyl)methyl)benzene?
You can request a quote for 1-Chloro-2-(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-Chloro-2-(isocyano(tosyl)methyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-2-(isocyano(tosyl)methyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.