2,4'-Diphenylmethane diisocyanate
TL;DR: 2,4'-Diphenylmethane diisocyanate (CAS 5873-54-1) is a chemical compound with molecular formula C15H10N2O2 and molecular weight 250.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanato-2-[(4-isocyanatophenyl)methyl]benzene
Also Known As: o-(p-Isocyanatobenzyl)phenyl isocyanate, 2,4'-Diisocyanatodiphenylmethane, 2,4'-Diphenylmethane diisocyanate, 2,4'-Diphenylmethanediisocyante, Diphenylmethane-2,4'-diisocyanate
| Molecular Formula | C15H10N2O2 |
|---|---|
| Molecular Weight | 250.07 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.07423 |
| Heavy Atoms | 19 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 5873-54-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC2=CC=C(C=C2)N=C=O)N=C=O |
| InChIKey | LFSYUSUFCBOHGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4'-Diphenylmethane diisocyanate (CAS 5873-54-1), with molecular formula C15H10N2O2 and molecular weight 250.07 g/mol. IUPAC: 1-isocyanato-2-[(4-isocyanatophenyl)methyl]benzene.
Chemical Property Profile of 2,4'-Diphenylmethane diisocyanate
Property Insights of 2,4'-Diphenylmethane diisocyanate
The XLogP value of 5.4 indicates that 2,4'-Diphenylmethane 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, 2,4'-Diphenylmethane diisocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4'-Diphenylmethane 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 2,4'-Diphenylmethane diisocyanate?
The CAS number of 2,4'-Diphenylmethane diisocyanate is 5873-54-1.
What is the molecular formula of 2,4'-Diphenylmethane diisocyanate?
The molecular formula of 2,4'-Diphenylmethane diisocyanate is C15H10N2O2.
What is the molecular weight of 2,4'-Diphenylmethane diisocyanate?
The molecular weight of 2,4'-Diphenylmethane diisocyanate is 250.07 g/mol.
Where can I buy 2,4'-Diphenylmethane diisocyanate?
You can request a quote for 2,4'-Diphenylmethane diisocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4'-Diphenylmethane diisocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2,4'-Diphenylmethane diisocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.