2-(3-乙酰氨基-2,4,6-三碘苯基)丁酸
TL;DR: 2-(3-乙酰氨基-2,4,6-三碘苯基)丁酸 (CAS 23279-53-0) is a chemical compound with molecular formula C12H12I3NO3 and molecular weight 598.80 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-乙酰氨基-2,4,6-三碘苯基)丁酸
2-(3-acetamido-2,4,6-triiodophenyl)butanoic acid
Also Known As: H-Tyr(3-NH2)-OH.2HCl, 2-(3-Acetamido-2,4,6-triiodophenyl)butyric acid, 2-(3-acetamido-2,4,6-triiodophenyl)butanoic acid, BUTYRIC ACID, 2-(3-ACETAMIDO-2,4,6-TRIIODOPHENYL)-, 2-(3-Acetylamino-2,4,6-triiodophenyl)butyric acid
| Molecular Formula | C12H12I3NO3 |
|---|---|
| Molecular Weight | 598.80 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 598.7951 |
| Heavy Atoms | 19 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 23279-53-0 |
|---|---|
| SMILES | CCC(C1=C(C(=C(C=C1I)I)NC(=O)C)I)C(=O)O |
| InChIKey | DRNUVHPHNAYHHF-UHFFFAOYSA-N |
Product Overview
2-(3-乙酰氨基-2,4,6-三碘苯基)丁酸 (CAS 23279-53-0), with molecular formula C12H12I3NO3 and molecular weight 598.80 g/mol. IUPAC: 2-(3-acetamido-2,4,6-triiodophenyl)butanoic acid.
Chemical Property Profile of 2-(3-乙酰氨基-2,4,6-三碘苯基)丁酸
Property Insights of 2-(3-乙酰氨基-2,4,6-三碘苯基)丁酸
The XLogP value of 3.4 indicates that 2-(3-乙酰氨基-2,4,6-三碘苯基)丁酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-乙酰氨基-2,4,6-三碘苯基)丁酸. Following Lipinski's Rule of Five, 2-(3-乙酰氨基-2,4,6-三碘苯基)丁酸 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(3-乙酰氨基-2,4,6-三碘苯基)丁酸?
The CAS number of 2-(3-乙酰氨基-2,4,6-三碘苯基)丁酸 is 23279-53-0.
What is the molecular formula of 2-(3-乙酰氨基-2,4,6-三碘苯基)丁酸?
The molecular formula of 2-(3-乙酰氨基-2,4,6-三碘苯基)丁酸 is C12H12I3NO3.
What is the molecular weight of 2-(3-乙酰氨基-2,4,6-三碘苯基)丁酸?
The molecular weight of 2-(3-乙酰氨基-2,4,6-三碘苯基)丁酸 is 598.80 g/mol.
Where can I buy 2-(3-乙酰氨基-2,4,6-三碘苯基)丁酸?
You can request a quote for 2-(3-乙酰氨基-2,4,6-三碘苯基)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-乙酰氨基-2,4,6-三碘苯基)丁酸?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-乙酰氨基-2,4,6-三碘苯基)丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.