beta-Methylphenylethylisocyanide
TL;DR: beta-Methylphenylethylisocyanide (CAS 86357-30-4) 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-isocyanopropan-2-ylbenzene
Also Known As: 1-isocyanopropan-2-ylbenzene, (1-isocyanopropan-2-yl)benzene, BETA-METHYLPHENYLETHYLISOCYANIDE, (2-isocyano-1-methyl-ethyl)-benzene
| Molecular Formula | C10H11N |
|---|---|
| Molecular Weight | 145.09 g/mol |
| LogP | 2.70939 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 145.08914 |
| Heavy Atoms | 11 |
| Complexity | 245.32533 |
Chemical Identifiers
| CAS Number | 86357-30-4 |
|---|---|
| SMILES | CC(C[N+]#[C-])C1=CC=CC=C1 |
Product Overview
beta-Methylphenylethylisocyanide (CAS 86357-30-4), with molecular formula C10H11N and molecular weight 145.09 g/mol. IUPAC: 1-isocyanopropan-2-ylbenzene.
Chemical Property Profile of beta-Methylphenylethylisocyanide
Property Insights of beta-Methylphenylethylisocyanide
The XLogP value of 2.70939 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Methylphenylethylisocyanide. With a topological polar surface area (TPSA) of 4.36 Ų, beta-Methylphenylethylisocyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Methylphenylethylisocyanide 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 beta-Methylphenylethylisocyanide?
The CAS number of beta-Methylphenylethylisocyanide is 86357-30-4.
What is the molecular formula of beta-Methylphenylethylisocyanide?
The molecular formula of beta-Methylphenylethylisocyanide is C10H11N.
What is the molecular weight of beta-Methylphenylethylisocyanide?
The molecular weight of beta-Methylphenylethylisocyanide is 145.09 g/mol.
Where can I buy beta-Methylphenylethylisocyanide?
You can request a quote for beta-Methylphenylethylisocyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Methylphenylethylisocyanide?
Yes, KEHONG BIO provides custom synthesis services for beta-Methylphenylethylisocyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.