Benzoic acid, 3-butyramido-2,4,6-triiodo-
TL;DR: Benzoic acid, 3-butyramido-2,4,6-triiodo- (CAS 7181-71-7) is a chemical compound with molecular formula C11H10I3NO3 and molecular weight 584.78 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(butanoylamino)-2,4,6-triiodobenzoic acid
Also Known As: 3-Butyrylamino-2,4,6-triiodobenzoic acid, 3-Butyramido-2,4,6-triiodobenzoic acid, 3-butanamido-2,4,6-triiodobenzoic acid, BENZOIC ACID, 3-BUTYRAMIDO-2,4,6-TRIIODO-, 3-(butanoylamino)-2,4,6-triiodobenzoic acid
| Molecular Formula | C11H10I3NO3 |
|---|---|
| Molecular Weight | 584.78 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 | 584.7795 |
| Heavy Atoms | 18 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 7181-71-7 |
|---|---|
| SMILES | CCCC(=O)NC1=C(C=C(C(=C1I)C(=O)O)I)I |
| InChIKey | QEKXGWMRPSGUEC-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3-butyramido-2,4,6-triiodo- (CAS 7181-71-7), with molecular formula C11H10I3NO3 and molecular weight 584.78 g/mol. IUPAC: 3-(butanoylamino)-2,4,6-triiodobenzoic acid.
Chemical Property Profile of Benzoic acid, 3-butyramido-2,4,6-triiodo-
Property Insights of Benzoic acid, 3-butyramido-2,4,6-triiodo-
The XLogP value of 3.4 indicates that Benzoic acid, 3-butyramido-2,4,6-triiodo- 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 Benzoic acid, 3-butyramido-2,4,6-triiodo-. Following Lipinski's Rule of Five, Benzoic acid, 3-butyramido-2,4,6-triiodo- 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 Benzoic acid, 3-butyramido-2,4,6-triiodo-?
The CAS number of Benzoic acid, 3-butyramido-2,4,6-triiodo- is 7181-71-7.
What is the molecular formula of Benzoic acid, 3-butyramido-2,4,6-triiodo-?
The molecular formula of Benzoic acid, 3-butyramido-2,4,6-triiodo- is C11H10I3NO3.
What is the molecular weight of Benzoic acid, 3-butyramido-2,4,6-triiodo-?
The molecular weight of Benzoic acid, 3-butyramido-2,4,6-triiodo- is 584.78 g/mol.
Where can I buy Benzoic acid, 3-butyramido-2,4,6-triiodo-?
You can request a quote for Benzoic acid, 3-butyramido-2,4,6-triiodo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-butyramido-2,4,6-triiodo-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-butyramido-2,4,6-triiodo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.