Benzene, 1-isocyano-4-(1-methylethyl)-
TL;DR: Benzene, 1-isocyano-4-(1-methylethyl)- (CAS 463302-31-0) is a chemical compound with molecular formula C10H11N and molecular weight 145.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyano-4-propan-2-ylbenzene
Also Known As: 1-isocyano-4-(propan-2-yl)benzene, 1-isocyano-4-isopropylbenzene, 4-isopropylphenylisocyanide, 1-isocyano-4-propan-2-ylbenzene, 4-Isopropylphenyl isocyanide
| Molecular Formula | C10H11N |
|---|---|
| Molecular Weight | 145.09 g/mol |
| LogP | 3.36079 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 145.08914 |
| Heavy Atoms | 11 |
| Complexity | 263.9194 |
Chemical Identifiers
| CAS Number | 463302-31-0 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)[N+]#[C-] |
Product Overview
Benzene, 1-isocyano-4-(1-methylethyl)- (CAS 463302-31-0), with molecular formula C10H11N and molecular weight 145.09 g/mol. IUPAC: 1-isocyano-4-propan-2-ylbenzene.
Chemical Property Profile of Benzene, 1-isocyano-4-(1-methylethyl)-
Property Insights of Benzene, 1-isocyano-4-(1-methylethyl)-
The XLogP value of 3.36079 indicates that Benzene, 1-isocyano-4-(1-methylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.36 Ų, Benzene, 1-isocyano-4-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-isocyano-4-(1-methylethyl)- 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 Benzene, 1-isocyano-4-(1-methylethyl)-?
The CAS number of Benzene, 1-isocyano-4-(1-methylethyl)- is 463302-31-0.
What is the molecular formula of Benzene, 1-isocyano-4-(1-methylethyl)-?
The molecular formula of Benzene, 1-isocyano-4-(1-methylethyl)- is C10H11N.
What is the molecular weight of Benzene, 1-isocyano-4-(1-methylethyl)-?
The molecular weight of Benzene, 1-isocyano-4-(1-methylethyl)- is 145.09 g/mol.
Where can I buy Benzene, 1-isocyano-4-(1-methylethyl)-?
You can request a quote for Benzene, 1-isocyano-4-(1-methylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-isocyano-4-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-isocyano-4-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.