4-Chloro-2-isocyano-1-methoxybenzene
TL;DR: 4-Chloro-2-isocyano-1-methoxybenzene (CAS 1930-95-6) is a chemical compound with molecular formula C8H6ClNO and molecular weight 167.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-isocyano-1-methoxybenzene
Also Known As: 4-chloro-2-isocyano-1-methoxybenzene, NIOSH/CZ0757499, 3-Chloro-6-methoxyphenylisocyanide, 5-chloro-2-methoxybenzenisocyanide, 5-Chloro-2-methoxyphenylisocyanide
| Molecular Formula | C8H6ClNO |
|---|---|
| Molecular Weight | 167.01 g/mol |
| LogP | 2.89939 |
| Topological Polar Surface Area | 13.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.0138 |
| Heavy Atoms | 11 |
| Complexity | 303.45062 |
Chemical Identifiers
| CAS Number | 1930-95-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)[N+]#[C-] |
Product Overview
4-Chloro-2-isocyano-1-methoxybenzene (CAS 1930-95-6), with molecular formula C8H6ClNO and molecular weight 167.01 g/mol. IUPAC: 4-chloro-2-isocyano-1-methoxybenzene.
Chemical Property Profile of 4-Chloro-2-isocyano-1-methoxybenzene
Property Insights of 4-Chloro-2-isocyano-1-methoxybenzene
The XLogP value of 2.89939 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-isocyano-1-methoxybenzene. With a topological polar surface area (TPSA) of 13.59 Ų, 4-Chloro-2-isocyano-1-methoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-isocyano-1-methoxybenzene 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-isocyano-1-methoxybenzene?
The CAS number of 4-Chloro-2-isocyano-1-methoxybenzene is 1930-95-6.
What is the molecular formula of 4-Chloro-2-isocyano-1-methoxybenzene?
The molecular formula of 4-Chloro-2-isocyano-1-methoxybenzene is C8H6ClNO.
What is the molecular weight of 4-Chloro-2-isocyano-1-methoxybenzene?
The molecular weight of 4-Chloro-2-isocyano-1-methoxybenzene is 167.01 g/mol.
Where can I buy 4-Chloro-2-isocyano-1-methoxybenzene?
You can request a quote for 4-Chloro-2-isocyano-1-methoxybenzene 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-isocyano-1-methoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-isocyano-1-methoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.