1,1'-Sulfonylbis(3-isocyanato-4-methylbenzene)
TL;DR: 1,1'-Sulfonylbis(3-isocyanato-4-methylbenzene) (CAS 71989-05-4) is a chemical compound with molecular formula C16H12N2O4S and molecular weight 328.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isocyanato-4-(3-isocyanato-4-methylphenyl)sulfonyl-1-methylbenzene
Also Known As: KST-1B8042, 1,1'-sulfonylbis(3-isocyanato-4-methylbenzene), 4-Benzolsulfonyl-1-phenyl-butandion-(1.3), Sulfonylbis(6-methyl-3,1-phenylene)diisocyanate, Benzene,1,1'-sulfonylbis[3-isocyanato-4-methyl-
| Molecular Formula | C16H12N2O4S |
|---|---|
| Molecular Weight | 328.05 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.0518 |
| Heavy Atoms | 23 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 71989-05-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)C)N=C=O)N=C=O |
| InChIKey | CWOSLFIEOIXEDF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1'-Sulfonylbis(3-isocyanato-4-methylbenzene) (CAS 71989-05-4), with molecular formula C16H12N2O4S and molecular weight 328.05 g/mol. IUPAC: 2-isocyanato-4-(3-isocyanato-4-methylphenyl)sulfonyl-1-methylbenzene.
Chemical Property Profile of 1,1'-Sulfonylbis(3-isocyanato-4-methylbenzene)
Property Insights of 1,1'-Sulfonylbis(3-isocyanato-4-methylbenzene)
The XLogP value of 5.0 indicates that 1,1'-Sulfonylbis(3-isocyanato-4-methylbenzene) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-Sulfonylbis(3-isocyanato-4-methylbenzene). Following Lipinski's Rule of Five, 1,1'-Sulfonylbis(3-isocyanato-4-methylbenzene) has 0 hydrogen bond donor(s) and 6 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 1,1'-Sulfonylbis(3-isocyanato-4-methylbenzene)?
The CAS number of 1,1'-Sulfonylbis(3-isocyanato-4-methylbenzene) is 71989-05-4.
What is the molecular formula of 1,1'-Sulfonylbis(3-isocyanato-4-methylbenzene)?
The molecular formula of 1,1'-Sulfonylbis(3-isocyanato-4-methylbenzene) is C16H12N2O4S.
What is the molecular weight of 1,1'-Sulfonylbis(3-isocyanato-4-methylbenzene)?
The molecular weight of 1,1'-Sulfonylbis(3-isocyanato-4-methylbenzene) is 328.05 g/mol.
Where can I buy 1,1'-Sulfonylbis(3-isocyanato-4-methylbenzene)?
You can request a quote for 1,1'-Sulfonylbis(3-isocyanato-4-methylbenzene) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-Sulfonylbis(3-isocyanato-4-methylbenzene)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Sulfonylbis(3-isocyanato-4-methylbenzene) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.