Bitolylene diisocyanate
TL;DR: Bitolylene diisocyanate (CAS 91-97-4) is a chemical compound with molecular formula C16H12N2O2 and molecular weight 264.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanato-4-(4-isocyanato-3-methylphenyl)-2-methylbenzene
Also Known As: Bitolylene diisocyanate, Nacconate 200, 4,4'-Diisocyanato-3,3'-dimethylbiphenyl, o-Tolidine, 3,3'-Dimethyl-4,4'-biphenylene diisocyanate
| Molecular Formula | C16H12N2O2 |
|---|---|
| Molecular Weight | 264.09 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.08987 |
| Heavy Atoms | 20 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 91-97-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=C=O)C)N=C=O |
| InChIKey | ICLCCFKUSALICQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bitolylene diisocyanate (CAS 91-97-4), with molecular formula C16H12N2O2 and molecular weight 264.09 g/mol. IUPAC: 1-isocyanato-4-(4-isocyanato-3-methylphenyl)-2-methylbenzene.
Chemical Property Profile of Bitolylene diisocyanate
Property Insights of Bitolylene diisocyanate
The XLogP value of 5.9 indicates that Bitolylene diisocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, Bitolylene diisocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bitolylene diisocyanate 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 Bitolylene diisocyanate?
The CAS number of Bitolylene diisocyanate is 91-97-4.
What is the molecular formula of Bitolylene diisocyanate?
The molecular formula of Bitolylene diisocyanate is C16H12N2O2.
What is the molecular weight of Bitolylene diisocyanate?
The molecular weight of Bitolylene diisocyanate is 264.09 g/mol.
Where can I buy Bitolylene diisocyanate?
You can request a quote for Bitolylene diisocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bitolylene diisocyanate?
Yes, KEHONG BIO provides custom synthesis services for Bitolylene diisocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.