Ethyl 2-isocyanobenzoate
TL;DR: Ethyl 2-isocyanobenzoate (CAS 360795-67-1) is a chemical compound with molecular formula C10H9NO2 and molecular weight 175.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-isocyanobenzoate
Also Known As: Ethyl 2-isocyanobenzoate, Ethyl-2-isocyanobenzoate
| Molecular Formula | C10H9NO2 |
|---|---|
| Molecular Weight | 175.06 g/mol |
| LogP | 2.41409 |
| Topological Polar Surface Area | 30.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.06332 |
| Heavy Atoms | 13 |
| Complexity | 352.18753 |
Chemical Identifiers
| CAS Number | 360795-67-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1[N+]#[C-] |
Product Overview
Ethyl 2-isocyanobenzoate (CAS 360795-67-1), with molecular formula C10H9NO2 and molecular weight 175.06 g/mol. IUPAC: ethyl 2-isocyanobenzoate.
Chemical Property Profile of Ethyl 2-isocyanobenzoate
Property Insights of Ethyl 2-isocyanobenzoate
The XLogP value of 2.41409 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-isocyanobenzoate. With a topological polar surface area (TPSA) of 30.66 Ų, Ethyl 2-isocyanobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-isocyanobenzoate has 0 hydrogen bond donor(s) and 2 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 Ethyl 2-isocyanobenzoate?
The CAS number of Ethyl 2-isocyanobenzoate is 360795-67-1.
What is the molecular formula of Ethyl 2-isocyanobenzoate?
The molecular formula of Ethyl 2-isocyanobenzoate is C10H9NO2.
What is the molecular weight of Ethyl 2-isocyanobenzoate?
The molecular weight of Ethyl 2-isocyanobenzoate is 175.06 g/mol.
Where can I buy Ethyl 2-isocyanobenzoate?
You can request a quote for Ethyl 2-isocyanobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-isocyanobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-isocyanobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.