1,1'-Sulfonylbis(4-chloro-3-isocyanatobenzene)
TL;DR: 1,1'-Sulfonylbis(4-chloro-3-isocyanatobenzene) (CAS 719-61-9) is a chemical compound with molecular formula C14H6Cl2N2O4S and molecular weight 367.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-(4-chloro-3-isocyanatophenyl)sulfonyl-2-isocyanatobenzene
Also Known As: 4-Chloro-3-fluorobenzamide, KST-1B8036, 1,1'-sulfonylbis(4-chloro-3-isocyanatobenzene), 1-chloro-4- sulfonyl-2-isocyanato-benzene, 3,3'-Diisocyanato-4,4'-dichlorodiphenylsulfone
| Molecular Formula | C14H6Cl2N2O4S |
|---|---|
| Molecular Weight | 367.94 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.94254 |
| Heavy Atoms | 23 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 719-61-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)Cl)N=C=O)N=C=O)Cl |
| InChIKey | XADGVNLZVITQBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1'-Sulfonylbis(4-chloro-3-isocyanatobenzene) (CAS 719-61-9), with molecular formula C14H6Cl2N2O4S and molecular weight 367.94 g/mol. IUPAC: 1-chloro-4-(4-chloro-3-isocyanatophenyl)sulfonyl-2-isocyanatobenzene.
Chemical Property Profile of 1,1'-Sulfonylbis(4-chloro-3-isocyanatobenzene)
Property Insights of 1,1'-Sulfonylbis(4-chloro-3-isocyanatobenzene)
The XLogP value of 5.6 indicates that 1,1'-Sulfonylbis(4-chloro-3-isocyanatobenzene) 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(4-chloro-3-isocyanatobenzene). Following Lipinski's Rule of Five, 1,1'-Sulfonylbis(4-chloro-3-isocyanatobenzene) has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1'-Sulfonylbis(4-chloro-3-isocyanatobenzene)?
The CAS number of 1,1'-Sulfonylbis(4-chloro-3-isocyanatobenzene) is 719-61-9.
What is the molecular formula of 1,1'-Sulfonylbis(4-chloro-3-isocyanatobenzene)?
The molecular formula of 1,1'-Sulfonylbis(4-chloro-3-isocyanatobenzene) is C14H6Cl2N2O4S.
What is the molecular weight of 1,1'-Sulfonylbis(4-chloro-3-isocyanatobenzene)?
The molecular weight of 1,1'-Sulfonylbis(4-chloro-3-isocyanatobenzene) is 367.94 g/mol.
Where can I buy 1,1'-Sulfonylbis(4-chloro-3-isocyanatobenzene)?
You can request a quote for 1,1'-Sulfonylbis(4-chloro-3-isocyanatobenzene) 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(4-chloro-3-isocyanatobenzene)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Sulfonylbis(4-chloro-3-isocyanatobenzene) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.