4-(Allyloxy)-3-iodo-5-methoxybenzonitrile
TL;DR: 4-(Allyloxy)-3-iodo-5-methoxybenzonitrile (CAS 445005-85-6) is a chemical compound with molecular formula C11H10INO2 and molecular weight 314.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-iodo-5-methoxy-4-prop-2-enoxybenzonitrile
Also Known As: 4-(allyloxy)-3-iodo-5-methoxybenzonitrile, 3-iodo-5-methoxy-4-prop-2-enoxybenzonitrile, 3-iodo-5-methoxy-4-(prop-2-en-1-yloxy)benzonitrile, 3-iodo-5-methoxy-4-prop-2-enyloxybenzenecarbonitrile
| Molecular Formula | C11H10INO2 |
|---|---|
| Molecular Weight | 314.98 g/mol |
| LogP | 2.73628 |
| Topological Polar Surface Area | 42.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.97562 |
| Heavy Atoms | 15 |
| Complexity | 409.78433 |
Chemical Identifiers
| CAS Number | 445005-85-6 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C#N)I)OCC=C |
Product Overview
4-(Allyloxy)-3-iodo-5-methoxybenzonitrile (CAS 445005-85-6), with molecular formula C11H10INO2 and molecular weight 314.98 g/mol. IUPAC: 3-iodo-5-methoxy-4-prop-2-enoxybenzonitrile.
Chemical Property Profile of 4-(Allyloxy)-3-iodo-5-methoxybenzonitrile
Property Insights of 4-(Allyloxy)-3-iodo-5-methoxybenzonitrile
The XLogP value of 2.73628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Allyloxy)-3-iodo-5-methoxybenzonitrile. With a topological polar surface area (TPSA) of 42.25 Ų, 4-(Allyloxy)-3-iodo-5-methoxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Allyloxy)-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-(Allyloxy)-3-iodo-5-methoxybenzonitrile?
The CAS number of 4-(Allyloxy)-3-iodo-5-methoxybenzonitrile is 445005-85-6.
What is the molecular formula of 4-(Allyloxy)-3-iodo-5-methoxybenzonitrile?
The molecular formula of 4-(Allyloxy)-3-iodo-5-methoxybenzonitrile is C11H10INO2.
What is the molecular weight of 4-(Allyloxy)-3-iodo-5-methoxybenzonitrile?
The molecular weight of 4-(Allyloxy)-3-iodo-5-methoxybenzonitrile is 314.98 g/mol.
Where can I buy 4-(Allyloxy)-3-iodo-5-methoxybenzonitrile?
You can request a quote for 4-(Allyloxy)-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-(Allyloxy)-3-iodo-5-methoxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Allyloxy)-3-iodo-5-methoxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.