Methyl 3,5-diiodo-4-(4'-methoxyphenoxy)benzoate
TL;DR: Methyl 3,5-diiodo-4-(4'-methoxyphenoxy)benzoate (CAS 33927-09-2) is a chemical compound with molecular formula C15H12I2O4 and molecular weight 509.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,5-diiodo-4-(4-methoxyphenoxy)benzoate
Also Known As: Oncocidin A1, BTO956, Methyl 3,5-diiodo-4-(4-methoxyphenoxy)benzoate, 3,5-DIIODO-4(4'-METHOXYPHENOXY)BENZOIC ACID METHYL ESTER, 3,5-DIIODO-4 BENZOICACIDMETHYLESTER
| Molecular Formula | C15H12I2O4 |
|---|---|
| Molecular Weight | 509.88 g/mol |
| LogP | 4.4833 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 509.8825 |
| Heavy Atoms | 21 |
| Complexity | 630.2183 |
Chemical Identifiers
| CAS Number | 33927-09-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OC2=C(C=C(C=C2I)C(=O)OC)I |
Product Overview
Methyl 3,5-diiodo-4-(4'-methoxyphenoxy)benzoate (CAS 33927-09-2), with molecular formula C15H12I2O4 and molecular weight 509.88 g/mol. IUPAC: methyl 3,5-diiodo-4-(4-methoxyphenoxy)benzoate.
Chemical Property Profile of Methyl 3,5-diiodo-4-(4'-methoxyphenoxy)benzoate
Property Insights of Methyl 3,5-diiodo-4-(4'-methoxyphenoxy)benzoate
The XLogP value of 4.4833 indicates that Methyl 3,5-diiodo-4-(4'-methoxyphenoxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, Methyl 3,5-diiodo-4-(4'-methoxyphenoxy)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3,5-diiodo-4-(4'-methoxyphenoxy)benzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 3,5-diiodo-4-(4'-methoxyphenoxy)benzoate?
The CAS number of Methyl 3,5-diiodo-4-(4'-methoxyphenoxy)benzoate is 33927-09-2.
What is the molecular formula of Methyl 3,5-diiodo-4-(4'-methoxyphenoxy)benzoate?
The molecular formula of Methyl 3,5-diiodo-4-(4'-methoxyphenoxy)benzoate is C15H12I2O4.
What is the molecular weight of Methyl 3,5-diiodo-4-(4'-methoxyphenoxy)benzoate?
The molecular weight of Methyl 3,5-diiodo-4-(4'-methoxyphenoxy)benzoate is 509.88 g/mol.
Where can I buy Methyl 3,5-diiodo-4-(4'-methoxyphenoxy)benzoate?
You can request a quote for Methyl 3,5-diiodo-4-(4'-methoxyphenoxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,5-diiodo-4-(4'-methoxyphenoxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,5-diiodo-4-(4'-methoxyphenoxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.