4-(Benzoyloxy)-3-iodo-5-methoxybenzonitrile
TL;DR: 4-(Benzoyloxy)-3-iodo-5-methoxybenzonitrile (CAS 445003-43-0) is a chemical compound with molecular formula C15H10INO3 and molecular weight 378.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyano-2-iodo-6-methoxyphenyl) benzoate
Also Known As: 4-cyano-2-iodo-6-methoxyphenyl benzoate, 4-(Benzoyloxy)-3-iodo-5-methoxybenzonitrile, RefChem:288509
| Molecular Formula | C15H10INO3 |
|---|---|
| Molecular Weight | 378.97 g/mol |
| LogP | 3.39068 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.97055 |
| Heavy Atoms | 20 |
| Complexity | 677.50824 |
Chemical Identifiers
| CAS Number | 445003-43-0 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C#N)I)OC(=O)C2=CC=CC=C2 |
Product Overview
4-(Benzoyloxy)-3-iodo-5-methoxybenzonitrile (CAS 445003-43-0), with molecular formula C15H10INO3 and molecular weight 378.97 g/mol. IUPAC: (4-cyano-2-iodo-6-methoxyphenyl) benzoate.
Chemical Property Profile of 4-(Benzoyloxy)-3-iodo-5-methoxybenzonitrile
Property Insights of 4-(Benzoyloxy)-3-iodo-5-methoxybenzonitrile
The XLogP value of 3.39068 indicates that 4-(Benzoyloxy)-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 59.32 Ų, 4-(Benzoyloxy)-3-iodo-5-methoxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Benzoyloxy)-3-iodo-5-methoxybenzonitrile has 0 hydrogen bond donor(s) and 4 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-(Benzoyloxy)-3-iodo-5-methoxybenzonitrile?
The CAS number of 4-(Benzoyloxy)-3-iodo-5-methoxybenzonitrile is 445003-43-0.
What is the molecular formula of 4-(Benzoyloxy)-3-iodo-5-methoxybenzonitrile?
The molecular formula of 4-(Benzoyloxy)-3-iodo-5-methoxybenzonitrile is C15H10INO3.
What is the molecular weight of 4-(Benzoyloxy)-3-iodo-5-methoxybenzonitrile?
The molecular weight of 4-(Benzoyloxy)-3-iodo-5-methoxybenzonitrile is 378.97 g/mol.
Where can I buy 4-(Benzoyloxy)-3-iodo-5-methoxybenzonitrile?
You can request a quote for 4-(Benzoyloxy)-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-(Benzoyloxy)-3-iodo-5-methoxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzoyloxy)-3-iodo-5-methoxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.