Benzoic acid, 4-cyano-, 4-iodophenyl ester
TL;DR: Benzoic acid, 4-cyano-, 4-iodophenyl ester (CAS 926010-24-4) is a chemical compound with molecular formula C14H8INO2 and molecular weight 348.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-iodophenyl) 4-cyanobenzoate
Also Known As: Dayecrystal A, starbld0007269, (4-iodophenyl) 4-cyanobenzoate, 4-IODOPHENYL 4-CYANOBENZOATE, Benzoic acid, 4-cyano-, 4-iodophenyl ester
| Molecular Formula | C14H8INO2 |
|---|---|
| Molecular Weight | 348.96 g/mol |
| LogP | 3.38208 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.96 |
| Heavy Atoms | 18 |
| Complexity | 597.1863 |
Chemical Identifiers
| CAS Number | 926010-24-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)C(=O)OC2=CC=C(C=C2)I |
Product Overview
Benzoic acid, 4-cyano-, 4-iodophenyl ester (CAS 926010-24-4), with molecular formula C14H8INO2 and molecular weight 348.96 g/mol. IUPAC: (4-iodophenyl) 4-cyanobenzoate.
Chemical Property Profile of Benzoic acid, 4-cyano-, 4-iodophenyl ester
Property Insights of Benzoic acid, 4-cyano-, 4-iodophenyl ester
The XLogP value of 3.38208 indicates that Benzoic acid, 4-cyano-, 4-iodophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.09 Ų, Benzoic acid, 4-cyano-, 4-iodophenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-cyano-, 4-iodophenyl ester 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 Benzoic acid, 4-cyano-, 4-iodophenyl ester?
The CAS number of Benzoic acid, 4-cyano-, 4-iodophenyl ester is 926010-24-4.
What is the molecular formula of Benzoic acid, 4-cyano-, 4-iodophenyl ester?
The molecular formula of Benzoic acid, 4-cyano-, 4-iodophenyl ester is C14H8INO2.
What is the molecular weight of Benzoic acid, 4-cyano-, 4-iodophenyl ester?
The molecular weight of Benzoic acid, 4-cyano-, 4-iodophenyl ester is 348.96 g/mol.
Where can I buy Benzoic acid, 4-cyano-, 4-iodophenyl ester?
You can request a quote for Benzoic acid, 4-cyano-, 4-iodophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-cyano-, 4-iodophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-cyano-, 4-iodophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.