5-(1-Isocyanoethyl)-2-methoxy-1,3-dimethylbenzene
TL;DR: 5-(1-Isocyanoethyl)-2-methoxy-1,3-dimethylbenzene (CAS 1044222-73-2) is a chemical compound with molecular formula C12H15NO and molecular weight 189.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1-isocyanoethyl)-2-methoxy-1,3-dimethylbenzene
Also Known As: 5-(1-isocyanoethyl)-2-methoxy-1,3-dimethylbenzene, 5-(1-isocyanoethyl)-2-methoxy-1,3-dimethyl-benzene
| Molecular Formula | C12H15NO |
|---|---|
| Molecular Weight | 189.12 g/mol |
| LogP | 3.29233 |
| Topological Polar Surface Area | 13.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.11537 |
| Heavy Atoms | 14 |
| Complexity | 353.3935 |
Chemical Identifiers
| CAS Number | 1044222-73-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1OC)C)C(C)[N+]#[C-] |
Product Overview
5-(1-Isocyanoethyl)-2-methoxy-1,3-dimethylbenzene (CAS 1044222-73-2), with molecular formula C12H15NO and molecular weight 189.12 g/mol. IUPAC: 5-(1-isocyanoethyl)-2-methoxy-1,3-dimethylbenzene.
Chemical Property Profile of 5-(1-Isocyanoethyl)-2-methoxy-1,3-dimethylbenzene
Property Insights of 5-(1-Isocyanoethyl)-2-methoxy-1,3-dimethylbenzene
The XLogP value of 3.29233 indicates that 5-(1-Isocyanoethyl)-2-methoxy-1,3-dimethylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 13.59 Ų, 5-(1-Isocyanoethyl)-2-methoxy-1,3-dimethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(1-Isocyanoethyl)-2-methoxy-1,3-dimethylbenzene has 0 hydrogen bond donor(s) and 1 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-(1-Isocyanoethyl)-2-methoxy-1,3-dimethylbenzene?
The CAS number of 5-(1-Isocyanoethyl)-2-methoxy-1,3-dimethylbenzene is 1044222-73-2.
What is the molecular formula of 5-(1-Isocyanoethyl)-2-methoxy-1,3-dimethylbenzene?
The molecular formula of 5-(1-Isocyanoethyl)-2-methoxy-1,3-dimethylbenzene is C12H15NO.
What is the molecular weight of 5-(1-Isocyanoethyl)-2-methoxy-1,3-dimethylbenzene?
The molecular weight of 5-(1-Isocyanoethyl)-2-methoxy-1,3-dimethylbenzene is 189.12 g/mol.
Where can I buy 5-(1-Isocyanoethyl)-2-methoxy-1,3-dimethylbenzene?
You can request a quote for 5-(1-Isocyanoethyl)-2-methoxy-1,3-dimethylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1-Isocyanoethyl)-2-methoxy-1,3-dimethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 5-(1-Isocyanoethyl)-2-methoxy-1,3-dimethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.