3,3'-Dimethoxybenzidine-4,4'-diisocyanate
TL;DR: 3,3'-Dimethoxybenzidine-4,4'-diisocyanate (CAS 91-93-0) is a chemical compound with molecular formula C16H12N2O4 and molecular weight 296.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanato-4-(4-isocyanato-3-methoxyphenyl)-2-methoxybenzene
Also Known As: Dianisidine diisocyanate, DADI, 3,4'-diisocyanate, 3,3'-DIMETHOXYBENZIDINE-4,4'-DIISOCYANATE, Diansidine Diisocyanate
| Molecular Formula | C16H12N2O4 |
|---|---|
| Molecular Weight | 296.08 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 77.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.0797 |
| Heavy Atoms | 22 |
| Complexity | 415.0 |
| Melting Point | 112.2 °C |
| Solubility | less than 1 mg/mL at 63.5 °F (NTP, 1992) |
| Flash Point | 245 °C |
Chemical Identifiers
| CAS Number | 91-93-0 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=C=O)OC)N=C=O |
| InChIKey | QZWKEPYTBWZJJA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3'-Dimethoxybenzidine-4,4'-diisocyanate (CAS 91-93-0), with molecular formula C16H12N2O4 and molecular weight 296.08 g/mol. IUPAC: 1-isocyanato-4-(4-isocyanato-3-methoxyphenyl)-2-methoxybenzene.
Chemical Property Profile of 3,3'-Dimethoxybenzidine-4,4'-diisocyanate
Property Insights of 3,3'-Dimethoxybenzidine-4,4'-diisocyanate
The XLogP value of 5.1 indicates that 3,3'-Dimethoxybenzidine-4,4'-diisocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-Dimethoxybenzidine-4,4'-diisocyanate. Following Lipinski's Rule of Five, 3,3'-Dimethoxybenzidine-4,4'-diisocyanate 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 3,3'-Dimethoxybenzidine-4,4'-diisocyanate?
The CAS number of 3,3'-Dimethoxybenzidine-4,4'-diisocyanate is 91-93-0.
What is the molecular formula of 3,3'-Dimethoxybenzidine-4,4'-diisocyanate?
The molecular formula of 3,3'-Dimethoxybenzidine-4,4'-diisocyanate is C16H12N2O4.
What is the molecular weight of 3,3'-Dimethoxybenzidine-4,4'-diisocyanate?
The molecular weight of 3,3'-Dimethoxybenzidine-4,4'-diisocyanate is 296.08 g/mol.
Where can I buy 3,3'-Dimethoxybenzidine-4,4'-diisocyanate?
You can request a quote for 3,3'-Dimethoxybenzidine-4,4'-diisocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-Dimethoxybenzidine-4,4'-diisocyanate?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Dimethoxybenzidine-4,4'-diisocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.