3,5-二戊酰氨基-2,4,6-三碘苯甲酸
TL;DR: 3,5-二戊酰氨基-2,4,6-三碘苯甲酸 (CAS 67049-60-9) is a chemical compound with molecular formula C17H21I3N2O4 and molecular weight 697.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-二戊酰氨基-2,4,6-三碘苯甲酸
2,4,6-triiodo-3,5-bis(pentanoylamino)benzoic acid
Also Known As: 3,5-Divaleramido-2,4,6-triiodobenzoic acid, 3,5-Bis -2,4,6-triiodobenzoicacid, BENZOIC ACID, 3,5-DIVALERAMIDO-2,4,6-TRIIODO-, 2,4,6-triiodo-3,5-dipentanamidobenzoic acid, 4-14-00-01309 (Beilstein Handbook Reference)
| Molecular Formula | C17H21I3N2O4 |
|---|---|
| Molecular Weight | 697.86 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 697.8635 |
| Heavy Atoms | 26 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 67049-60-9 |
|---|---|
| SMILES | CCCCC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)CCCC)I |
| InChIKey | GGFOCZVPIOWRFB-UHFFFAOYSA-N |
Product Overview
3,5-二戊酰氨基-2,4,6-三碘苯甲酸 (CAS 67049-60-9), with molecular formula C17H21I3N2O4 and molecular weight 697.86 g/mol. IUPAC: 2,4,6-triiodo-3,5-bis(pentanoylamino)benzoic acid.
Chemical Property Profile of 3,5-二戊酰氨基-2,4,6-三碘苯甲酸
Property Insights of 3,5-二戊酰氨基-2,4,6-三碘苯甲酸
The XLogP value of 4.5 indicates that 3,5-二戊酰氨基-2,4,6-三碘苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-二戊酰氨基-2,4,6-三碘苯甲酸. Following Lipinski's Rule of Five, 3,5-二戊酰氨基-2,4,6-三碘苯甲酸 has 3 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 3,5-二戊酰氨基-2,4,6-三碘苯甲酸?
The CAS number of 3,5-二戊酰氨基-2,4,6-三碘苯甲酸 is 67049-60-9.
What is the molecular formula of 3,5-二戊酰氨基-2,4,6-三碘苯甲酸?
The molecular formula of 3,5-二戊酰氨基-2,4,6-三碘苯甲酸 is C17H21I3N2O4.
What is the molecular weight of 3,5-二戊酰氨基-2,4,6-三碘苯甲酸?
The molecular weight of 3,5-二戊酰氨基-2,4,6-三碘苯甲酸 is 697.86 g/mol.
Where can I buy 3,5-二戊酰氨基-2,4,6-三碘苯甲酸?
You can request a quote for 3,5-二戊酰氨基-2,4,6-三碘苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-二戊酰氨基-2,4,6-三碘苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3,5-二戊酰氨基-2,4,6-三碘苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.