Benzoic acid, 3-acetamido-5-(carbamoylmethyl)-2,4,6-triiodo-
TL;DR: Benzoic acid, 3-acetamido-5-(carbamoylmethyl)-2,4,6-triiodo- (CAS 40590-65-6) is a chemical compound with molecular formula C11H9I3N2O4 and molecular weight 613.77 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetamido-5-(2-amino-2-oxoethyl)-2,4,6-triiodobenzoic acid
Also Known As: 3- -5- -2,4,6-triiodobenzoicacid, Acetanilide, 5-carbamoylmethyl-3-carboxy-2,4,6-triiodo-, BENZOIC ACID, 3-ACETAMIDO-5-(CARBAMOYLMETHYL)-2,4,6-TRIIODO-, 3-acetamido-5-(2-amino-2-oxoethyl)-2,4,6-triiodobenzoic acid, Acetanilide,5-carbamoylmethyl-3-carboxy-2,4,6-triiodo
| Molecular Formula | C11H9I3N2O4 |
|---|---|
| Molecular Weight | 613.77 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 613.7696 |
| Heavy Atoms | 20 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 40590-65-6 |
|---|---|
| SMILES | CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)CC(=O)N)I |
| InChIKey | NDQMXNVDCKNYTF-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3-acetamido-5-(carbamoylmethyl)-2,4,6-triiodo- (CAS 40590-65-6), with molecular formula C11H9I3N2O4 and molecular weight 613.77 g/mol. IUPAC: 3-acetamido-5-(2-amino-2-oxoethyl)-2,4,6-triiodobenzoic acid.
Chemical Property Profile of Benzoic acid, 3-acetamido-5-(carbamoylmethyl)-2,4,6-triiodo-
Property Insights of Benzoic acid, 3-acetamido-5-(carbamoylmethyl)-2,4,6-triiodo-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-acetamido-5-(carbamoylmethyl)-2,4,6-triiodo-. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-acetamido-5-(carbamoylmethyl)-2,4,6-triiodo-. Following Lipinski's Rule of Five, Benzoic acid, 3-acetamido-5-(carbamoylmethyl)-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-(carbamoylmethyl)-2,4,6-triiodo-?
The CAS number of Benzoic acid, 3-acetamido-5-(carbamoylmethyl)-2,4,6-triiodo- is 40590-65-6.
What is the molecular formula of Benzoic acid, 3-acetamido-5-(carbamoylmethyl)-2,4,6-triiodo-?
The molecular formula of Benzoic acid, 3-acetamido-5-(carbamoylmethyl)-2,4,6-triiodo- is C11H9I3N2O4.
What is the molecular weight of Benzoic acid, 3-acetamido-5-(carbamoylmethyl)-2,4,6-triiodo-?
The molecular weight of Benzoic acid, 3-acetamido-5-(carbamoylmethyl)-2,4,6-triiodo- is 613.77 g/mol.
Where can I buy Benzoic acid, 3-acetamido-5-(carbamoylmethyl)-2,4,6-triiodo-?
You can request a quote for Benzoic acid, 3-acetamido-5-(carbamoylmethyl)-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-(carbamoylmethyl)-2,4,6-triiodo-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-acetamido-5-(carbamoylmethyl)-2,4,6-triiodo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.