1-(1-Isocyanoethyl)-4-(2-methylpropyl)benzene
TL;DR: 1-(1-Isocyanoethyl)-4-(2-methylpropyl)benzene (CAS 132980-23-5) 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.
1-(1-isocyanoethyl)-4-(2-methylpropyl)benzene
Also Known As: 1-(1-isocyanoethyl)-4-(2-methylpropyl)benzene
| Molecular Formula | C13H17N |
|---|---|
| Molecular Weight | 187.14 g/mol |
| LogP | 3.86539 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 187.1361 |
| Heavy Atoms | 14 |
| Complexity | 316.08395 |
Chemical Identifiers
| CAS Number | 132980-23-5 |
|---|---|
| SMILES | CC(C)CC1=CC=C(C=C1)C(C)[N+]#[C-] |
Product Overview
1-(1-Isocyanoethyl)-4-(2-methylpropyl)benzene (CAS 132980-23-5), with molecular formula C13H17N and molecular weight 187.14 g/mol. IUPAC: 1-(1-isocyanoethyl)-4-(2-methylpropyl)benzene.
Chemical Property Profile of 1-(1-Isocyanoethyl)-4-(2-methylpropyl)benzene
Property Insights of 1-(1-Isocyanoethyl)-4-(2-methylpropyl)benzene
The XLogP value of 3.86539 indicates that 1-(1-Isocyanoethyl)-4-(2-methylpropyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.36 Ų, 1-(1-Isocyanoethyl)-4-(2-methylpropyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Isocyanoethyl)-4-(2-methylpropyl)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-(1-Isocyanoethyl)-4-(2-methylpropyl)benzene?
The CAS number of 1-(1-Isocyanoethyl)-4-(2-methylpropyl)benzene is 132980-23-5.
What is the molecular formula of 1-(1-Isocyanoethyl)-4-(2-methylpropyl)benzene?
The molecular formula of 1-(1-Isocyanoethyl)-4-(2-methylpropyl)benzene is C13H17N.
What is the molecular weight of 1-(1-Isocyanoethyl)-4-(2-methylpropyl)benzene?
The molecular weight of 1-(1-Isocyanoethyl)-4-(2-methylpropyl)benzene is 187.14 g/mol.
Where can I buy 1-(1-Isocyanoethyl)-4-(2-methylpropyl)benzene?
You can request a quote for 1-(1-Isocyanoethyl)-4-(2-methylpropyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Isocyanoethyl)-4-(2-methylpropyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Isocyanoethyl)-4-(2-methylpropyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.