2,6-Diisopropylphenyl isocyanide
TL;DR: 2,6-Diisopropylphenyl isocyanide (CAS 154079-07-9) is a chemical compound with molecular formula C13H17N and molecular weight 187.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isocyano-1,3-di(propan-2-yl)benzene
Also Known As: 2,6-Diisopropylphenyl isocyanide, 2,6-Diisopropylbenzonitrile, 2-isocyano-1,3-di(propan-2-yl)benzene, 2-isocyano-1,3-diisopropylbenzene, 2-isocyano-1,3-bis(propan-2-yl)benzene
| Molecular Formula | C13H17N |
|---|---|
| Molecular Weight | 187.14 g/mol |
| LogP | 4.48419 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.1361 |
| Heavy Atoms | 14 |
| Complexity | 329.7386 |
Chemical Identifiers
| CAS Number | 154079-07-9 |
|---|---|
| SMILES | CC(C)C1=C(C(=CC=C1)C(C)C)[N+]#[C-] |
Product Overview
2,6-Diisopropylphenyl isocyanide (CAS 154079-07-9), with molecular formula C13H17N and molecular weight 187.14 g/mol. IUPAC: 2-isocyano-1,3-di(propan-2-yl)benzene.
Chemical Property Profile of 2,6-Diisopropylphenyl isocyanide
Property Insights of 2,6-Diisopropylphenyl isocyanide
The XLogP value of 4.48419 indicates that 2,6-Diisopropylphenyl isocyanide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.36 Ų, 2,6-Diisopropylphenyl isocyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Diisopropylphenyl isocyanide has 0 hydrogen bond donor(s) and 0 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 isocyanide?
The CAS number of 2,6-Diisopropylphenyl isocyanide is 154079-07-9.
What is the molecular formula of 2,6-Diisopropylphenyl isocyanide?
The molecular formula of 2,6-Diisopropylphenyl isocyanide is C13H17N.
What is the molecular weight of 2,6-Diisopropylphenyl isocyanide?
The molecular weight of 2,6-Diisopropylphenyl isocyanide is 187.14 g/mol.
Where can I buy 2,6-Diisopropylphenyl isocyanide?
You can request a quote for 2,6-Diisopropylphenyl isocyanide 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 isocyanide?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Diisopropylphenyl isocyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.