Benzoic acid, 3-acetamido-5-heptanamido-2,4,6-triiodo-
TL;DR: Benzoic acid, 3-acetamido-5-heptanamido-2,4,6-triiodo- (CAS 67011-41-0) is a chemical compound with molecular formula C16H19I3N2O4 and molecular weight 683.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetamido-5-(heptanoylamino)-2,4,6-triiodobenzoic acid
Also Known As: 3-Acetamido-5-heptanamido-2,4,6-triiodobenzoic acid, 4-14-00-01310 (Beilstein Handbook Reference), BENZOIC ACID, 3-ACETAMIDO-5-HEPTANAMIDO-2,4,6-TRIIODO-, 3-acetamido-5-(heptanoylamino)-2,4,6-triiodobenzoic acid, 3-Acetylamino-5-heptanoylamino-2,4,6-triiodobenzoic acid
| Molecular Formula | C16H19I3N2O4 |
|---|---|
| Molecular Weight | 683.85 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 683.8479 |
| Heavy Atoms | 25 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 67011-41-0 |
|---|---|
| SMILES | CCCCCCC(=O)NC1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)O)I |
| InChIKey | HESZIOFDZNOPPU-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3-acetamido-5-heptanamido-2,4,6-triiodo- (CAS 67011-41-0), with molecular formula C16H19I3N2O4 and molecular weight 683.85 g/mol. IUPAC: 3-acetamido-5-(heptanoylamino)-2,4,6-triiodobenzoic acid.
Chemical Property Profile of Benzoic acid, 3-acetamido-5-heptanamido-2,4,6-triiodo-
Property Insights of Benzoic acid, 3-acetamido-5-heptanamido-2,4,6-triiodo-
The XLogP value of 4.2 indicates that Benzoic acid, 3-acetamido-5-heptanamido-2,4,6-triiodo- 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 Benzoic acid, 3-acetamido-5-heptanamido-2,4,6-triiodo-. Following Lipinski's Rule of Five, Benzoic acid, 3-acetamido-5-heptanamido-2,4,6-triiodo- 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 Benzoic acid, 3-acetamido-5-heptanamido-2,4,6-triiodo-?
The CAS number of Benzoic acid, 3-acetamido-5-heptanamido-2,4,6-triiodo- is 67011-41-0.
What is the molecular formula of Benzoic acid, 3-acetamido-5-heptanamido-2,4,6-triiodo-?
The molecular formula of Benzoic acid, 3-acetamido-5-heptanamido-2,4,6-triiodo- is C16H19I3N2O4.
What is the molecular weight of Benzoic acid, 3-acetamido-5-heptanamido-2,4,6-triiodo-?
The molecular weight of Benzoic acid, 3-acetamido-5-heptanamido-2,4,6-triiodo- is 683.85 g/mol.
Where can I buy Benzoic acid, 3-acetamido-5-heptanamido-2,4,6-triiodo-?
You can request a quote for Benzoic acid, 3-acetamido-5-heptanamido-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-acetamido-5-heptanamido-2,4,6-triiodo-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-acetamido-5-heptanamido-2,4,6-triiodo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.