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4-[(2-Chlorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile
TL;DR: 4-[(2-Chlorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile (CAS 445014-16-4) is a chemical compound with molecular formula C15H11ClINO2 and molecular weight 398.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-chlorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile
Also Known As: 4-[(2-chlorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile, 4-[(2-chlorobenzyl)oxy]-3-iodo-5-methoxybenzonitrile, 4-((2-Chlorophenyl)methoxy)-3-iodo-5-methoxybenzonitrile, RefChem:286316
| Molecular Formula | C15H11ClINO2 |
|---|---|
| Molecular Weight | 398.95 g/mol |
| LogP | 4.40388 |
| Topological Polar Surface Area | 42.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.9523 |
| Heavy Atoms | 20 |
| Complexity | 667.40845 |
Chemical Identifiers
| CAS Number | 445014-16-4 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C#N)I)OCC2=CC=CC=C2Cl |
Product Overview
4-[(2-Chlorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile (CAS 445014-16-4), with molecular formula C15H11ClINO2 and molecular weight 398.95 g/mol. IUPAC: 4-[(2-chlorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile.
Chemical Property Profile of 4-[(2-Chlorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile
Property Insights of 4-[(2-Chlorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile
The XLogP value of 4.40388 indicates that 4-[(2-Chlorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.25 Ų, 4-[(2-Chlorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(2-Chlorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile 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 4-[(2-Chlorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile?
The CAS number of 4-[(2-Chlorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile is 445014-16-4.
What is the molecular formula of 4-[(2-Chlorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile?
The molecular formula of 4-[(2-Chlorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile is C15H11ClINO2.
What is the molecular weight of 4-[(2-Chlorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile?
The molecular weight of 4-[(2-Chlorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile is 398.95 g/mol.
Where can I buy 4-[(2-Chlorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile?
You can request a quote for 4-[(2-Chlorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2-Chlorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-Chlorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.