2-(3,5-二碘-4-甲氧基苯氧基)丁酸
TL;DR: 2-(3,5-二碘-4-甲氧基苯氧基)丁酸 (CAS 91349-85-8) is a chemical compound with molecular formula C11H12I2O4 and molecular weight 461.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-二碘-4-甲氧基苯氧基)丁酸
2-(3,5-diiodo-4-methoxyphenoxy)butanoic acid
Also Known As: 2-(3,5-Diiodo-4-methoxyphenoxy)butyric acid, 2-(3,5-diiodo-4-methoxyphenoxy)butanoic acid, 4-06-00-05786 (Beilstein Handbook Reference), BUTYRIC ACID, 2-(3,5-DIIODO-4-METHOXYPHENOXY)-, RefChem:1061025
| Molecular Formula | C11H12I2O4 |
|---|---|
| Molecular Weight | 461.88 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 461.8825 |
| Heavy Atoms | 17 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 91349-85-8 |
|---|---|
| SMILES | CCC(C(=O)O)OC1=CC(=C(C(=C1)I)OC)I |
| InChIKey | YFZQTRLAZMNAGO-UHFFFAOYSA-N |
Product Overview
2-(3,5-二碘-4-甲氧基苯氧基)丁酸 (CAS 91349-85-8), with molecular formula C11H12I2O4 and molecular weight 461.88 g/mol. IUPAC: 2-(3,5-diiodo-4-methoxyphenoxy)butanoic acid.
Chemical Property Profile of 2-(3,5-二碘-4-甲氧基苯氧基)丁酸
Property Insights of 2-(3,5-二碘-4-甲氧基苯氧基)丁酸
The XLogP value of 3.7 indicates that 2-(3,5-二碘-4-甲氧基苯氧基)丁酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 2-(3,5-二碘-4-甲氧基苯氧基)丁酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,5-二碘-4-甲氧基苯氧基)丁酸 has 1 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-(3,5-二碘-4-甲氧基苯氧基)丁酸?
The CAS number of 2-(3,5-二碘-4-甲氧基苯氧基)丁酸 is 91349-85-8.
What is the molecular formula of 2-(3,5-二碘-4-甲氧基苯氧基)丁酸?
The molecular formula of 2-(3,5-二碘-4-甲氧基苯氧基)丁酸 is C11H12I2O4.
What is the molecular weight of 2-(3,5-二碘-4-甲氧基苯氧基)丁酸?
The molecular weight of 2-(3,5-二碘-4-甲氧基苯氧基)丁酸 is 461.88 g/mol.
Where can I buy 2-(3,5-二碘-4-甲氧基苯氧基)丁酸?
You can request a quote for 2-(3,5-二碘-4-甲氧基苯氧基)丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,5-二碘-4-甲氧基苯氧基)丁酸?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-二碘-4-甲氧基苯氧基)丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.