4-Chloro-2-methoxy-5-methylphenyl isocyanide
TL;DR: 4-Chloro-2-methoxy-5-methylphenyl isocyanide (CAS 1930-96-7) is a chemical compound with molecular formula C9H8ClNO and molecular weight 181.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-isocyano-5-methoxy-2-methylbenzene
Also Known As: 1-chloro-4-isocyano-5-methoxy-2-methylbenzene, 4-Chloro-2-methoxy-5-methylphenyl isocyanide, m-Tolyl isocyanide, 4-chloro-6-methoxy- (7CI, 8CI), 1-chloro-4-isocyano-5-methoxy-2-methyl-benzene, 4-chloro-2-methoxy-5-methylphenylisocyanide
| Molecular Formula | C9H8ClNO |
|---|---|
| Molecular Weight | 181.03 g/mol |
| LogP | 3.20781 |
| Topological Polar Surface Area | 13.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.02943 |
| Heavy Atoms | 12 |
| Complexity | 341.11716 |
Chemical Identifiers
| CAS Number | 1930-96-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)OC)[N+]#[C-] |
Product Overview
4-Chloro-2-methoxy-5-methylphenyl isocyanide (CAS 1930-96-7), with molecular formula C9H8ClNO and molecular weight 181.03 g/mol. IUPAC: 1-chloro-4-isocyano-5-methoxy-2-methylbenzene.
Chemical Property Profile of 4-Chloro-2-methoxy-5-methylphenyl isocyanide
Property Insights of 4-Chloro-2-methoxy-5-methylphenyl isocyanide
The XLogP value of 3.20781 indicates that 4-Chloro-2-methoxy-5-methylphenyl isocyanide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 13.59 Ų, 4-Chloro-2-methoxy-5-methylphenyl isocyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-methoxy-5-methylphenyl isocyanide 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 4-Chloro-2-methoxy-5-methylphenyl isocyanide?
The CAS number of 4-Chloro-2-methoxy-5-methylphenyl isocyanide is 1930-96-7.
What is the molecular formula of 4-Chloro-2-methoxy-5-methylphenyl isocyanide?
The molecular formula of 4-Chloro-2-methoxy-5-methylphenyl isocyanide is C9H8ClNO.
What is the molecular weight of 4-Chloro-2-methoxy-5-methylphenyl isocyanide?
The molecular weight of 4-Chloro-2-methoxy-5-methylphenyl isocyanide is 181.03 g/mol.
Where can I buy 4-Chloro-2-methoxy-5-methylphenyl isocyanide?
You can request a quote for 4-Chloro-2-methoxy-5-methylphenyl isocyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-methoxy-5-methylphenyl isocyanide?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-methoxy-5-methylphenyl isocyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.