2-(4-羟基-3,5-二碘苄基)己酸
TL;DR: 2-(4-羟基-3,5-二碘苄基)己酸 (CAS 17048-40-7) is a chemical compound with molecular formula C13H16I2O3 and molecular weight 473.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-羟基-3,5-二碘苄基)己酸
2-[(4-hydroxy-3,5-diiodophenyl)methyl]hexanoic acid
Also Known As: NIOSH/MW5097500, 2-(4-Hydroxy-3,5-diiodobenzyl)hexanoic acid, 2-[(4-hydroxy-3,5-diiodophenyl)methyl]hexanoic acid, alpha-Butyl-3,5-diiodo-4-hydroxyhydrocinnamic acid, Hydrocinnamic acid, alpha-butyl-3,5-diiodo-4-hydroxy-
| Molecular Formula | C13H16I2O3 |
|---|---|
| Molecular Weight | 473.92 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 473.91888 |
| Heavy Atoms | 18 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 17048-40-7 |
|---|---|
| SMILES | CCCCC(CC1=CC(=C(C(=C1)I)O)I)C(=O)O |
| InChIKey | IUOJDKLEFIHYPS-UHFFFAOYSA-N |
Product Overview
2-(4-羟基-3,5-二碘苄基)己酸 (CAS 17048-40-7), with molecular formula C13H16I2O3 and molecular weight 473.92 g/mol. IUPAC: 2-[(4-hydroxy-3,5-diiodophenyl)methyl]hexanoic acid.
Chemical Property Profile of 2-(4-羟基-3,5-二碘苄基)己酸
Property Insights of 2-(4-羟基-3,5-二碘苄基)己酸
The XLogP value of 4.6 indicates that 2-(4-羟基-3,5-二碘苄基)己酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 2-(4-羟基-3,5-二碘苄基)己酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-羟基-3,5-二碘苄基)己酸 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 2-(4-羟基-3,5-二碘苄基)己酸?
The CAS number of 2-(4-羟基-3,5-二碘苄基)己酸 is 17048-40-7.
What is the molecular formula of 2-(4-羟基-3,5-二碘苄基)己酸?
The molecular formula of 2-(4-羟基-3,5-二碘苄基)己酸 is C13H16I2O3.
What is the molecular weight of 2-(4-羟基-3,5-二碘苄基)己酸?
The molecular weight of 2-(4-羟基-3,5-二碘苄基)己酸 is 473.92 g/mol.
Where can I buy 2-(4-羟基-3,5-二碘苄基)己酸?
You can request a quote for 2-(4-羟基-3,5-二碘苄基)己酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-羟基-3,5-二碘苄基)己酸?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-羟基-3,5-二碘苄基)己酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.