3,3'-Dimethyldiphenyl methane-4,4'-diisocyanate
TL;DR: 3,3'-Dimethyldiphenyl methane-4,4'-diisocyanate (CAS 139-25-3) is a chemical compound with molecular formula C17H14N2O2 and molecular weight 278.11 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)methyl]-2-methylbenzene
Also Known As: Nacconate 310, 3,4'-diisocyanate, 4,4'-Diisocyanato-3,3'-dimethyldiphenylmethane, 4,3'-dimethyldiphenylmethane, 5,5'-Methylenebis(2-isocyanatotoluene)
| Molecular Formula | C17H14N2O2 |
|---|---|
| Molecular Weight | 278.11 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.10553 |
| Heavy Atoms | 21 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 139-25-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)CC2=CC(=C(C=C2)N=C=O)C)N=C=O |
| InChIKey | DTZHXCBUWSTOPO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3'-Dimethyldiphenyl methane-4,4'-diisocyanate (CAS 139-25-3), with molecular formula C17H14N2O2 and molecular weight 278.11 g/mol. IUPAC: 1-isocyanato-4-[(4-isocyanato-3-methylphenyl)methyl]-2-methylbenzene.
Chemical Property Profile of 3,3'-Dimethyldiphenyl methane-4,4'-diisocyanate
Property Insights of 3,3'-Dimethyldiphenyl methane-4,4'-diisocyanate
The XLogP value of 6.2 indicates that 3,3'-Dimethyldiphenyl methane-4,4'-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, 3,3'-Dimethyldiphenyl methane-4,4'-diisocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3'-Dimethyldiphenyl methane-4,4'-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 3,3'-Dimethyldiphenyl methane-4,4'-diisocyanate?
The CAS number of 3,3'-Dimethyldiphenyl methane-4,4'-diisocyanate is 139-25-3.
What is the molecular formula of 3,3'-Dimethyldiphenyl methane-4,4'-diisocyanate?
The molecular formula of 3,3'-Dimethyldiphenyl methane-4,4'-diisocyanate is C17H14N2O2.
What is the molecular weight of 3,3'-Dimethyldiphenyl methane-4,4'-diisocyanate?
The molecular weight of 3,3'-Dimethyldiphenyl methane-4,4'-diisocyanate is 278.11 g/mol.
Where can I buy 3,3'-Dimethyldiphenyl methane-4,4'-diisocyanate?
You can request a quote for 3,3'-Dimethyldiphenyl methane-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'-Dimethyldiphenyl methane-4,4'-diisocyanate?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Dimethyldiphenyl methane-4,4'-diisocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.