4-(Isocyano(tosyl)methyl)-1,2-dimethoxybenzene
TL;DR: 4-(Isocyano(tosyl)methyl)-1,2-dimethoxybenzene (CAS 71146-67-3) is a chemical compound with molecular formula C17H17NO4S and molecular weight 331.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[isocyano-(4-methylphenyl)sulfonylmethyl]-1,2-dimethoxybenzene
Also Known As: 4-(Isocyano(tosyl)methyl)-1,2-dimethoxybenzene, a-Tosyl-(3,4-dimethoxybenzyl)isocyanide, 1-(3,4-Dimethoxyphenyl)-1-tosylmethyl isocyanide, 4-[ISOCYANO-(TOLUENE-4-SULFONYL)-METHYL]-1,2-DIMETHOXY-BENZENE, 1035AC
| Molecular Formula | C17H17NO4S |
|---|---|
| Molecular Weight | 331.09 g/mol |
| LogP | 3.40401 |
| Topological Polar Surface Area | 56.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.08783 |
| Heavy Atoms | 23 |
| Complexity | 835.8873 |
Chemical Identifiers
| CAS Number | 71146-67-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC(=C(C=C2)OC)OC)[N+]#[C-] |
Product Overview
4-(Isocyano(tosyl)methyl)-1,2-dimethoxybenzene (CAS 71146-67-3), with molecular formula C17H17NO4S and molecular weight 331.09 g/mol. IUPAC: 4-[isocyano-(4-methylphenyl)sulfonylmethyl]-1,2-dimethoxybenzene.
Chemical Property Profile of 4-(Isocyano(tosyl)methyl)-1,2-dimethoxybenzene
Property Insights of 4-(Isocyano(tosyl)methyl)-1,2-dimethoxybenzene
The XLogP value of 3.40401 indicates that 4-(Isocyano(tosyl)methyl)-1,2-dimethoxybenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.96 Ų, 4-(Isocyano(tosyl)methyl)-1,2-dimethoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Isocyano(tosyl)methyl)-1,2-dimethoxybenzene 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 4-(Isocyano(tosyl)methyl)-1,2-dimethoxybenzene?
The CAS number of 4-(Isocyano(tosyl)methyl)-1,2-dimethoxybenzene is 71146-67-3.
What is the molecular formula of 4-(Isocyano(tosyl)methyl)-1,2-dimethoxybenzene?
The molecular formula of 4-(Isocyano(tosyl)methyl)-1,2-dimethoxybenzene is C17H17NO4S.
What is the molecular weight of 4-(Isocyano(tosyl)methyl)-1,2-dimethoxybenzene?
The molecular weight of 4-(Isocyano(tosyl)methyl)-1,2-dimethoxybenzene is 331.09 g/mol.
Where can I buy 4-(Isocyano(tosyl)methyl)-1,2-dimethoxybenzene?
You can request a quote for 4-(Isocyano(tosyl)methyl)-1,2-dimethoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Isocyano(tosyl)methyl)-1,2-dimethoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-(Isocyano(tosyl)methyl)-1,2-dimethoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.