1-Methyl-3-phenylpropylisocyanide
TL;DR: 1-Methyl-3-phenylpropylisocyanide (CAS 602261-82-5) is a chemical compound with molecular formula C11H13N and molecular weight 159.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-isocyanobutylbenzene
Also Known As: 3-isocyanobutylbenzene, 1-Methyl-3-phenylpropylisocyanide, Not Available, (3-ISOCYANOBUTYL)BENZENE, 4-Phenylbutane-2-yl isocyanide
| Molecular Formula | C11H13N |
|---|---|
| Molecular Weight | 159.10 g/mol |
| LogP | 2.92699 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 159.1048 |
| Heavy Atoms | 12 |
| Complexity | 258.08264 |
Chemical Identifiers
| CAS Number | 602261-82-5 |
|---|---|
| SMILES | CC(CCC1=CC=CC=C1)[N+]#[C-] |
Product Overview
1-Methyl-3-phenylpropylisocyanide (CAS 602261-82-5), with molecular formula C11H13N and molecular weight 159.10 g/mol. IUPAC: 3-isocyanobutylbenzene.
Chemical Property Profile of 1-Methyl-3-phenylpropylisocyanide
Property Insights of 1-Methyl-3-phenylpropylisocyanide
The XLogP value of 2.92699 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-3-phenylpropylisocyanide. With a topological polar surface area (TPSA) of 4.36 Ų, 1-Methyl-3-phenylpropylisocyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-3-phenylpropylisocyanide 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-Methyl-3-phenylpropylisocyanide?
The CAS number of 1-Methyl-3-phenylpropylisocyanide is 602261-82-5.
What is the molecular formula of 1-Methyl-3-phenylpropylisocyanide?
The molecular formula of 1-Methyl-3-phenylpropylisocyanide is C11H13N.
What is the molecular weight of 1-Methyl-3-phenylpropylisocyanide?
The molecular weight of 1-Methyl-3-phenylpropylisocyanide is 159.10 g/mol.
Where can I buy 1-Methyl-3-phenylpropylisocyanide?
You can request a quote for 1-Methyl-3-phenylpropylisocyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-3-phenylpropylisocyanide?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-phenylpropylisocyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.