2,6-Diisopropylphenyl isocyanate
TL;DR: 2,6-Diisopropylphenyl isocyanate (CAS 28178-42-9) is a chemical compound with molecular formula C13H17NO and molecular weight 203.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isocyanato-1,3-di(propan-2-yl)benzene
Also Known As: 2,6-Diisopropylphenyl isocyanate, 2,6-DIISOPROPYLPHENYLISOCYANATE, Phenylacetonitrile, 2-isocyanato-1,3-di(propan-2-yl)benzene, 2-Isocyanato-1,3-diisopropylbenzene
| Molecular Formula | C13H17NO |
|---|---|
| Molecular Weight | 203.13 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.13101 |
| Heavy Atoms | 15 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 28178-42-9 |
|---|---|
| SMILES | CC(C)C1=C(C(=CC=C1)C(C)C)N=C=O |
| InChIKey | FEUFNKALUGDEMQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Diisopropylphenyl isocyanate (CAS 28178-42-9), with molecular formula C13H17NO and molecular weight 203.13 g/mol. IUPAC: 2-isocyanato-1,3-di(propan-2-yl)benzene.
Chemical Property Profile of 2,6-Diisopropylphenyl isocyanate
Property Insights of 2,6-Diisopropylphenyl isocyanate
The XLogP value of 5.0 indicates that 2,6-Diisopropylphenyl isocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.4 Ų, 2,6-Diisopropylphenyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Diisopropylphenyl isocyanate has 0 hydrogen bond donor(s) and 2 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 2,6-Diisopropylphenyl isocyanate?
The CAS number of 2,6-Diisopropylphenyl isocyanate is 28178-42-9.
What is the molecular formula of 2,6-Diisopropylphenyl isocyanate?
The molecular formula of 2,6-Diisopropylphenyl isocyanate is C13H17NO.
What is the molecular weight of 2,6-Diisopropylphenyl isocyanate?
The molecular weight of 2,6-Diisopropylphenyl isocyanate is 203.13 g/mol.
Where can I buy 2,6-Diisopropylphenyl isocyanate?
You can request a quote for 2,6-Diisopropylphenyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Diisopropylphenyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Diisopropylphenyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.