Ethyl-m-phenylenediisocyanate
TL;DR: Ethyl-m-phenylenediisocyanate (CAS 64711-83-7) is a chemical compound with molecular formula C10H8N2O2 and molecular weight 188.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-2,4-diisocyanatobenzene
Also Known As: Ethyl-m-phenylenediisocyanate, 1-ethyl-2,4-diisocyanatobenzene, 4-Ethyl-1,3-phenylenediisocyanate, Benzene,ethyl-1,3-diisocyanato- (9CI)
| Molecular Formula | C10H8N2O2 |
|---|---|
| Molecular Weight | 188.06 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 188.05858 |
| Heavy Atoms | 14 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 64711-83-7 |
|---|---|
| SMILES | CCC1=C(C=C(C=C1)N=C=O)N=C=O |
| InChIKey | FHGPADAQQRYSEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl-m-phenylenediisocyanate (CAS 64711-83-7), with molecular formula C10H8N2O2 and molecular weight 188.06 g/mol. IUPAC: 1-ethyl-2,4-diisocyanatobenzene.
Chemical Property Profile of Ethyl-m-phenylenediisocyanate
Property Insights of Ethyl-m-phenylenediisocyanate
The XLogP value of 4.3 indicates that Ethyl-m-phenylenediisocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, Ethyl-m-phenylenediisocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl-m-phenylenediisocyanate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl-m-phenylenediisocyanate?
The CAS number of Ethyl-m-phenylenediisocyanate is 64711-83-7.
What is the molecular formula of Ethyl-m-phenylenediisocyanate?
The molecular formula of Ethyl-m-phenylenediisocyanate is C10H8N2O2.
What is the molecular weight of Ethyl-m-phenylenediisocyanate?
The molecular weight of Ethyl-m-phenylenediisocyanate is 188.06 g/mol.
Where can I buy Ethyl-m-phenylenediisocyanate?
You can request a quote for Ethyl-m-phenylenediisocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl-m-phenylenediisocyanate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl-m-phenylenediisocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.