碘苯扎酸
TL;DR: 碘苯扎酸 (CAS 3115-05-7) is a chemical compound with molecular formula C16H13I3N2O3 and molecular weight 661.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
碘苯扎酸
3-(N-(3-amino-2,4,6-triiodobenzoyl)anilino)propanoic acid
Also Known As: Iobenzamic acid, Osbil, Osbiland, Tracebil, Bilibyk
| Molecular Formula | C16H13I3N2O3 |
|---|---|
| Molecular Weight | 661.81 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 661.806 |
| Heavy Atoms | 24 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 3115-05-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N(CCC(=O)O)C(=O)C2=C(C(=C(C=C2I)I)N)I |
| InChIKey | FJYJNLIEGUTPIJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
碘苯扎酸 (CAS 3115-05-7), with molecular formula C16H13I3N2O3 and molecular weight 661.81 g/mol. IUPAC: 3-(N-(3-amino-2,4,6-triiodobenzoyl)anilino)propanoic acid.
Chemical Property Profile of 碘苯扎酸
Property Insights of 碘苯扎酸
The XLogP value of 3.7 indicates that 碘苯扎酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 碘苯扎酸. Following Lipinski's Rule of Five, 碘苯扎酸 has 2 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 碘苯扎酸?
The CAS number of 碘苯扎酸 is 3115-05-7.
What is the molecular formula of 碘苯扎酸?
The molecular formula of 碘苯扎酸 is C16H13I3N2O3.
What is the molecular weight of 碘苯扎酸?
The molecular weight of 碘苯扎酸 is 661.81 g/mol.
Where can I buy 碘苯扎酸?
You can request a quote for 碘苯扎酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 碘苯扎酸?
Yes, KEHONG BIO provides custom synthesis services for 碘苯扎酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.