1-(Isocyanomethyl)-3,5-dimethoxybenzene
TL;DR: 1-(Isocyanomethyl)-3,5-dimethoxybenzene (CAS 147492-96-4) is a chemical compound with molecular formula C10H11NO2 and molecular weight 177.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(isocyanomethyl)-3,5-dimethoxybenzene
Also Known As: 1-(isocyanomethyl)-3,5-dimethoxybenzene, Benzene, 1-(isocyanomethyl)-3,5-dimethoxy-, 1-(isocyanomethyl)-3,5-dimethoxy-benzene
| Molecular Formula | C10H11NO2 |
|---|---|
| Molecular Weight | 177.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 22.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.07898 |
| Heavy Atoms | 13 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 147492-96-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)C[N+]#[C-])OC |
| InChIKey | MANAVEMLLMACAJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Isocyanomethyl)-3,5-dimethoxybenzene (CAS 147492-96-4), with molecular formula C10H11NO2 and molecular weight 177.08 g/mol. IUPAC: 1-(isocyanomethyl)-3,5-dimethoxybenzene.
Chemical Property Profile of 1-(Isocyanomethyl)-3,5-dimethoxybenzene
Property Insights of 1-(Isocyanomethyl)-3,5-dimethoxybenzene
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Isocyanomethyl)-3,5-dimethoxybenzene. With a topological polar surface area (TPSA) of 22.8 Ų, 1-(Isocyanomethyl)-3,5-dimethoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Isocyanomethyl)-3,5-dimethoxybenzene has 0 hydrogen bond donor(s) and 3 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-(Isocyanomethyl)-3,5-dimethoxybenzene?
The CAS number of 1-(Isocyanomethyl)-3,5-dimethoxybenzene is 147492-96-4.
What is the molecular formula of 1-(Isocyanomethyl)-3,5-dimethoxybenzene?
The molecular formula of 1-(Isocyanomethyl)-3,5-dimethoxybenzene is C10H11NO2.
What is the molecular weight of 1-(Isocyanomethyl)-3,5-dimethoxybenzene?
The molecular weight of 1-(Isocyanomethyl)-3,5-dimethoxybenzene is 177.08 g/mol.
Where can I buy 1-(Isocyanomethyl)-3,5-dimethoxybenzene?
You can request a quote for 1-(Isocyanomethyl)-3,5-dimethoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Isocyanomethyl)-3,5-dimethoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Isocyanomethyl)-3,5-dimethoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.