3-Methoxybenzylisocyanide
TL;DR: 3-Methoxybenzylisocyanide (CAS 177763-18-7) is a chemical compound with molecular formula C9H9NO and molecular weight 147.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(isocyanomethyl)-3-methoxybenzene
Also Known As: 3-Methoxybenzylisocyanide, 1-(isocyanomethyl)-3-methoxybenzene, 3-methoxybenzyl isocyanide, 1-(isocyanomethyl)-3-methoxy-benzene, 4-methyl-N-[2-(3-phenylprop-2-enyl)phenyl]benzenesulfonamide
| Molecular Formula | C9H9NO |
|---|---|
| Molecular Weight | 147.07 g/mol |
| LogP | 2.11449 |
| Topological Polar Surface Area | 13.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 147.06842 |
| Heavy Atoms | 11 |
| Complexity | 275.13638 |
Chemical Identifiers
| CAS Number | 177763-18-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C[N+]#[C-] |
Product Overview
3-Methoxybenzylisocyanide (CAS 177763-18-7), with molecular formula C9H9NO and molecular weight 147.07 g/mol. IUPAC: 1-(isocyanomethyl)-3-methoxybenzene.
Chemical Property Profile of 3-Methoxybenzylisocyanide
Property Insights of 3-Methoxybenzylisocyanide
The XLogP value of 2.11449 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxybenzylisocyanide. With a topological polar surface area (TPSA) of 13.59 Ų, 3-Methoxybenzylisocyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxybenzylisocyanide 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 3-Methoxybenzylisocyanide?
The CAS number of 3-Methoxybenzylisocyanide is 177763-18-7.
What is the molecular formula of 3-Methoxybenzylisocyanide?
The molecular formula of 3-Methoxybenzylisocyanide is C9H9NO.
What is the molecular weight of 3-Methoxybenzylisocyanide?
The molecular weight of 3-Methoxybenzylisocyanide is 147.07 g/mol.
Where can I buy 3-Methoxybenzylisocyanide?
You can request a quote for 3-Methoxybenzylisocyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxybenzylisocyanide?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxybenzylisocyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.