2-oxo-2H-chromen-4-yl 3-iodobenzoate
TL;DR: 2-oxo-2H-chromen-4-yl 3-iodobenzoate (CAS 736940-46-8) is a chemical compound with molecular formula C16H9IO4 and molecular weight 391.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxochromen-4-yl) 3-iodobenzoate
Also Known As: 2-oxo-2H-chromen-4-yl 3-iodobenzoate, (2-oxochromen-4-yl) 3-iodobenzoate
| Molecular Formula | C16H9IO4 |
|---|---|
| Molecular Weight | 391.95 g/mol |
| LogP | 3.6168 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 391.95456 |
| Heavy Atoms | 21 |
| Complexity | 882.5794 |
Chemical Identifiers
| CAS Number | 736940-46-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC(=O)O2)OC(=O)C3=CC(=CC=C3)I |
Product Overview
2-oxo-2H-chromen-4-yl 3-iodobenzoate (CAS 736940-46-8), with molecular formula C16H9IO4 and molecular weight 391.95 g/mol. IUPAC: (2-oxochromen-4-yl) 3-iodobenzoate.
Chemical Property Profile of 2-oxo-2H-chromen-4-yl 3-iodobenzoate
Property Insights of 2-oxo-2H-chromen-4-yl 3-iodobenzoate
The XLogP value of 3.6168 indicates that 2-oxo-2H-chromen-4-yl 3-iodobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, 2-oxo-2H-chromen-4-yl 3-iodobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-oxo-2H-chromen-4-yl 3-iodobenzoate 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 2-oxo-2H-chromen-4-yl 3-iodobenzoate?
The CAS number of 2-oxo-2H-chromen-4-yl 3-iodobenzoate is 736940-46-8.
What is the molecular formula of 2-oxo-2H-chromen-4-yl 3-iodobenzoate?
The molecular formula of 2-oxo-2H-chromen-4-yl 3-iodobenzoate is C16H9IO4.
What is the molecular weight of 2-oxo-2H-chromen-4-yl 3-iodobenzoate?
The molecular weight of 2-oxo-2H-chromen-4-yl 3-iodobenzoate is 391.95 g/mol.
Where can I buy 2-oxo-2H-chromen-4-yl 3-iodobenzoate?
You can request a quote for 2-oxo-2H-chromen-4-yl 3-iodobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-oxo-2H-chromen-4-yl 3-iodobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-oxo-2H-chromen-4-yl 3-iodobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.