5-(2-Isocyanoethyl)-1,2,3-trimethoxybenzene
TL;DR: 5-(2-Isocyanoethyl)-1,2,3-trimethoxybenzene (CAS 165459-75-6) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-isocyanoethyl)-1,2,3-trimethoxybenzene
Also Known As: 5-(2-isocyanoethyl)-1,2,3-trimethoxybenzene, Benzene, 5-(2-isocyanoethyl)-1,2,3-trimethoxy-, 5-(2-isocyanoethyl)-1,2,3-trimethoxy-benzene
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 32.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 165459-75-6 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)CC[N+]#[C-] |
| InChIKey | ZQMBKJSONUTTKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(2-Isocyanoethyl)-1,2,3-trimethoxybenzene (CAS 165459-75-6), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: 5-(2-isocyanoethyl)-1,2,3-trimethoxybenzene.
Chemical Property Profile of 5-(2-Isocyanoethyl)-1,2,3-trimethoxybenzene
Property Insights of 5-(2-Isocyanoethyl)-1,2,3-trimethoxybenzene
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-Isocyanoethyl)-1,2,3-trimethoxybenzene. With a topological polar surface area (TPSA) of 32.1 Ų, 5-(2-Isocyanoethyl)-1,2,3-trimethoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-Isocyanoethyl)-1,2,3-trimethoxybenzene has 0 hydrogen bond donor(s) and 4 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 5-(2-Isocyanoethyl)-1,2,3-trimethoxybenzene?
The CAS number of 5-(2-Isocyanoethyl)-1,2,3-trimethoxybenzene is 165459-75-6.
What is the molecular formula of 5-(2-Isocyanoethyl)-1,2,3-trimethoxybenzene?
The molecular formula of 5-(2-Isocyanoethyl)-1,2,3-trimethoxybenzene is C12H15NO3.
What is the molecular weight of 5-(2-Isocyanoethyl)-1,2,3-trimethoxybenzene?
The molecular weight of 5-(2-Isocyanoethyl)-1,2,3-trimethoxybenzene is 221.11 g/mol.
Where can I buy 5-(2-Isocyanoethyl)-1,2,3-trimethoxybenzene?
You can request a quote for 5-(2-Isocyanoethyl)-1,2,3-trimethoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-Isocyanoethyl)-1,2,3-trimethoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Isocyanoethyl)-1,2,3-trimethoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.