1-Ethyl-4-(1-isocyanoethyl)benzene
TL;DR: 1-Ethyl-4-(1-isocyanoethyl)benzene (CAS 1038617-72-9) 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.
1-ethyl-4-(1-isocyanoethyl)benzene
Also Known As: 1-ethyl-4-(1-isocyanoethyl)benzene
| Molecular Formula | C11H13N |
|---|---|
| Molecular Weight | 159.10 g/mol |
| LogP | 3.22929 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.1048 |
| Heavy Atoms | 12 |
| Complexity | 278.86758 |
Chemical Identifiers
| CAS Number | 1038617-72-9 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C(C)[N+]#[C-] |
Product Overview
1-Ethyl-4-(1-isocyanoethyl)benzene (CAS 1038617-72-9), with molecular formula C11H13N and molecular weight 159.10 g/mol. IUPAC: 1-ethyl-4-(1-isocyanoethyl)benzene.
Chemical Property Profile of 1-Ethyl-4-(1-isocyanoethyl)benzene
Property Insights of 1-Ethyl-4-(1-isocyanoethyl)benzene
The XLogP value of 3.22929 indicates that 1-Ethyl-4-(1-isocyanoethyl)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-Ethyl-4-(1-isocyanoethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethyl-4-(1-isocyanoethyl)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-Ethyl-4-(1-isocyanoethyl)benzene?
The CAS number of 1-Ethyl-4-(1-isocyanoethyl)benzene is 1038617-72-9.
What is the molecular formula of 1-Ethyl-4-(1-isocyanoethyl)benzene?
The molecular formula of 1-Ethyl-4-(1-isocyanoethyl)benzene is C11H13N.
What is the molecular weight of 1-Ethyl-4-(1-isocyanoethyl)benzene?
The molecular weight of 1-Ethyl-4-(1-isocyanoethyl)benzene is 159.10 g/mol.
Where can I buy 1-Ethyl-4-(1-isocyanoethyl)benzene?
You can request a quote for 1-Ethyl-4-(1-isocyanoethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-4-(1-isocyanoethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-4-(1-isocyanoethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.