3,3'-Dichloro-4,4'-diisocyanato-1,1'-biphenyl
TL;DR: 3,3'-Dichloro-4,4'-diisocyanato-1,1'-biphenyl (CAS 58089-99-9) is a chemical compound with molecular formula C14H6Cl2N2O2 and molecular weight 303.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-(3-chloro-4-isocyanatophenyl)-1-isocyanatobenzene
Also Known As: 3,3'-Dichloro-4,4'-diisocyanatobiphenyl, 3,4'-ISOCYANATOBIPHENYL, 3,3-DICHLORODIPHENYL 4,4-DIISOCYANATE, 3,3'-Dichlorodiphenyl 4,4'-Diisocyanate, 3,3-DICHLORODIPHENYL4,4-DIISOCYANATE
| Molecular Formula | C14H6Cl2N2O2 |
|---|---|
| Molecular Weight | 303.98 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.98062 |
| Heavy Atoms | 20 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 58089-99-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=CC(=C(C=C2)N=C=O)Cl)Cl)N=C=O |
| InChIKey | JITXMLLVGWGFGV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3'-Dichloro-4,4'-diisocyanato-1,1'-biphenyl (CAS 58089-99-9), with molecular formula C14H6Cl2N2O2 and molecular weight 303.98 g/mol. IUPAC: 2-chloro-4-(3-chloro-4-isocyanatophenyl)-1-isocyanatobenzene.
Chemical Property Profile of 3,3'-Dichloro-4,4'-diisocyanato-1,1'-biphenyl
Property Insights of 3,3'-Dichloro-4,4'-diisocyanato-1,1'-biphenyl
The XLogP value of 6.4 indicates that 3,3'-Dichloro-4,4'-diisocyanato-1,1'-biphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, 3,3'-Dichloro-4,4'-diisocyanato-1,1'-biphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3'-Dichloro-4,4'-diisocyanato-1,1'-biphenyl has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3'-Dichloro-4,4'-diisocyanato-1,1'-biphenyl?
The CAS number of 3,3'-Dichloro-4,4'-diisocyanato-1,1'-biphenyl is 58089-99-9.
What is the molecular formula of 3,3'-Dichloro-4,4'-diisocyanato-1,1'-biphenyl?
The molecular formula of 3,3'-Dichloro-4,4'-diisocyanato-1,1'-biphenyl is C14H6Cl2N2O2.
What is the molecular weight of 3,3'-Dichloro-4,4'-diisocyanato-1,1'-biphenyl?
The molecular weight of 3,3'-Dichloro-4,4'-diisocyanato-1,1'-biphenyl is 303.98 g/mol.
Where can I buy 3,3'-Dichloro-4,4'-diisocyanato-1,1'-biphenyl?
You can request a quote for 3,3'-Dichloro-4,4'-diisocyanato-1,1'-biphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-Dichloro-4,4'-diisocyanato-1,1'-biphenyl?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Dichloro-4,4'-diisocyanato-1,1'-biphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.