(1-Isocyano-1-methylethyl)benzene
TL;DR: (1-Isocyano-1-methylethyl)benzene (CAS 1195-99-9) 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.
2-isocyanopropan-2-ylbenzene
Also Known As: 2-isocyanopropan-2-ylbenzene, 2-Phenylprop-2-ylisocyanide, (2-ISOCYANOPROPAN-2-YL)BENZENE, 2-phenylpropan-2-yl isocyanide, (1-Isocyano-1-methylethyl)benzene
| Molecular Formula | C10H11N |
|---|---|
| Molecular Weight | 145.09 g/mol |
| LogP | 2.84099 |
| 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 | 266.6743 |
Chemical Identifiers
| CAS Number | 1195-99-9 |
|---|---|
| SMILES | CC(C)(C1=CC=CC=C1)[N+]#[C-] |
Product Overview
(1-Isocyano-1-methylethyl)benzene (CAS 1195-99-9), with molecular formula C10H11N and molecular weight 145.09 g/mol. IUPAC: 2-isocyanopropan-2-ylbenzene.
Chemical Property Profile of (1-Isocyano-1-methylethyl)benzene
Property Insights of (1-Isocyano-1-methylethyl)benzene
The XLogP value of 2.84099 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Isocyano-1-methylethyl)benzene. With a topological polar surface area (TPSA) of 4.36 Ų, (1-Isocyano-1-methylethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Isocyano-1-methylethyl)benzene 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 (1-Isocyano-1-methylethyl)benzene?
The CAS number of (1-Isocyano-1-methylethyl)benzene is 1195-99-9.
What is the molecular formula of (1-Isocyano-1-methylethyl)benzene?
The molecular formula of (1-Isocyano-1-methylethyl)benzene is C10H11N.
What is the molecular weight of (1-Isocyano-1-methylethyl)benzene?
The molecular weight of (1-Isocyano-1-methylethyl)benzene is 145.09 g/mol.
Where can I buy (1-Isocyano-1-methylethyl)benzene?
You can request a quote for (1-Isocyano-1-methylethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Isocyano-1-methylethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (1-Isocyano-1-methylethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.