3,5-二碘-4-羟基苯丙酸
TL;DR: 3,5-二碘-4-羟基苯丙酸 (CAS 13811-11-5) is a chemical compound with molecular formula C9H8I2O3 and molecular weight 417.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-二碘-4-羟基苯丙酸
3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
Also Known As: DIHPA, 3,5-Diiodo-4-hydroxyphenylpropionic acid, 3,5-Diiodophloretic acid, 3-(4-Hydroxy-3,5-diiodophenyl)propanoic acid, Spectrum5_002003
| Molecular Formula | C9H8I2O3 |
|---|---|
| Molecular Weight | 417.86 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.8563 |
| Heavy Atoms | 14 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 13811-11-5 |
|---|---|
| SMILES | C1=C(C=C(C(=C1I)O)I)CCC(=O)O |
| InChIKey | REWXSFYNOFYMNX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-二碘-4-羟基苯丙酸 (CAS 13811-11-5), with molecular formula C9H8I2O3 and molecular weight 417.86 g/mol. IUPAC: 3-(4-hydroxy-3,5-diiodophenyl)propanoic acid.
Chemical Property Profile of 3,5-二碘-4-羟基苯丙酸
Property Insights of 3,5-二碘-4-羟基苯丙酸
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-二碘-4-羟基苯丙酸. With a topological polar surface area (TPSA) of 57.5 Ų, 3,5-二碘-4-羟基苯丙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-二碘-4-羟基苯丙酸 has 2 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 3,5-二碘-4-羟基苯丙酸?
The CAS number of 3,5-二碘-4-羟基苯丙酸 is 13811-11-5.
What is the molecular formula of 3,5-二碘-4-羟基苯丙酸?
The molecular formula of 3,5-二碘-4-羟基苯丙酸 is C9H8I2O3.
What is the molecular weight of 3,5-二碘-4-羟基苯丙酸?
The molecular weight of 3,5-二碘-4-羟基苯丙酸 is 417.86 g/mol.
Where can I buy 3,5-二碘-4-羟基苯丙酸?
You can request a quote for 3,5-二碘-4-羟基苯丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-二碘-4-羟基苯丙酸?
Yes, KEHONG BIO provides custom synthesis services for 3,5-二碘-4-羟基苯丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.