2-Methoxyphenylisocyanide
TL;DR: 2-Methoxyphenylisocyanide (CAS 20771-60-2) is a chemical compound with molecular formula C8H7NO and molecular weight 133.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyano-2-methoxybenzene
Also Known As: 2-Methoxyphenylisocyanide, 1-isocyano-2-methoxybenzene, 2-methoxyphenyl isocyanide, methoxyphenyl isocyanide, Benzene, 1-isocyano-2-methoxy-
| Molecular Formula | C8H7NO |
|---|---|
| Molecular Weight | 133.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 13.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 133.05276 |
| Heavy Atoms | 10 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 20771-60-2 |
|---|---|
| SMILES | COC1=CC=CC=C1[N+]#[C-] |
| InChIKey | CKDZYTQQIUFJFI-UHFFFAOYSA-N |
Product Overview
2-Methoxyphenylisocyanide (CAS 20771-60-2), with molecular formula C8H7NO and molecular weight 133.05 g/mol. IUPAC: 1-isocyano-2-methoxybenzene.
Chemical Property Profile of 2-Methoxyphenylisocyanide
Property Insights of 2-Methoxyphenylisocyanide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxyphenylisocyanide. With a topological polar surface area (TPSA) of 13.6 Ų, 2-Methoxyphenylisocyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxyphenylisocyanide 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 2-Methoxyphenylisocyanide?
The CAS number of 2-Methoxyphenylisocyanide is 20771-60-2.
What is the molecular formula of 2-Methoxyphenylisocyanide?
The molecular formula of 2-Methoxyphenylisocyanide is C8H7NO.
What is the molecular weight of 2-Methoxyphenylisocyanide?
The molecular weight of 2-Methoxyphenylisocyanide is 133.05 g/mol.
Where can I buy 2-Methoxyphenylisocyanide?
You can request a quote for 2-Methoxyphenylisocyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxyphenylisocyanide?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxyphenylisocyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.