![4-[Isocyano(toluene-4-sulphonyl)methyl]biphenyl structure](/static/products/957/957060-99-0.png)
4-[Isocyano(toluene-4-sulphonyl)methyl]biphenyl
TL;DR: 4-[Isocyano(toluene-4-sulphonyl)methyl]biphenyl (CAS 957060-99-0) is a chemical compound with molecular formula C21H17NO2S and molecular weight 347.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[isocyano-(4-phenylphenyl)methyl]sulfonyl-4-methylbenzene
Also Known As: 4-[Isocyano(toluene-4-sulphonyl)methyl]biphenyl, 4-(Isocyano(tosyl)methyl)biphenyl, 4-[Isocyano-(toluene-4-sulfonyl)-methyl]-biphenyl, 1-[isocyano-(4-phenylphenyl)methyl]sulfonyl-4-methylbenzene, 1-[isocyano(4-methylbenzenesulfonyl)methyl]-4-phenylbenzene
| Molecular Formula | C21H17NO2S |
|---|---|
| Molecular Weight | 347.10 g/mol |
| LogP | 5.05381 |
| Topological Polar Surface Area | 38.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.098 |
| Heavy Atoms | 25 |
| Complexity | 1000.24615 |
Chemical Identifiers
| CAS Number | 957060-99-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=C(C=C2)C3=CC=CC=C3)[N+]#[C-] |
Product Overview
4-[Isocyano(toluene-4-sulphonyl)methyl]biphenyl (CAS 957060-99-0), with molecular formula C21H17NO2S and molecular weight 347.10 g/mol. IUPAC: 1-[isocyano-(4-phenylphenyl)methyl]sulfonyl-4-methylbenzene.
Chemical Property Profile of 4-[Isocyano(toluene-4-sulphonyl)methyl]biphenyl
Property Insights of 4-[Isocyano(toluene-4-sulphonyl)methyl]biphenyl
The XLogP value of 5.05381 indicates that 4-[Isocyano(toluene-4-sulphonyl)methyl]biphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.5 Ų, 4-[Isocyano(toluene-4-sulphonyl)methyl]biphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[Isocyano(toluene-4-sulphonyl)methyl]biphenyl has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[Isocyano(toluene-4-sulphonyl)methyl]biphenyl?
The CAS number of 4-[Isocyano(toluene-4-sulphonyl)methyl]biphenyl is 957060-99-0.
What is the molecular formula of 4-[Isocyano(toluene-4-sulphonyl)methyl]biphenyl?
The molecular formula of 4-[Isocyano(toluene-4-sulphonyl)methyl]biphenyl is C21H17NO2S.
What is the molecular weight of 4-[Isocyano(toluene-4-sulphonyl)methyl]biphenyl?
The molecular weight of 4-[Isocyano(toluene-4-sulphonyl)methyl]biphenyl is 347.10 g/mol.
Where can I buy 4-[Isocyano(toluene-4-sulphonyl)methyl]biphenyl?
You can request a quote for 4-[Isocyano(toluene-4-sulphonyl)methyl]biphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[Isocyano(toluene-4-sulphonyl)methyl]biphenyl?
Yes, KEHONG BIO provides custom synthesis services for 4-[Isocyano(toluene-4-sulphonyl)methyl]biphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.