Benzoic acid, 3-acetamido-5-(methylcarbamoylmethyl)-
TL;DR: Benzoic acid, 3-acetamido-5-(methylcarbamoylmethyl)- (CAS 32637-73-3) is a chemical compound with molecular formula C12H11I3N2O4 and molecular weight 627.79 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetamido-2,4,6-triiodo-5-[2-(methylamino)-2-oxoethyl]benzoic acid
Also Known As: BENZOIC ACID, 3-ACETAMIDO-5-(METHYLCARBAMOYLMETHYL)-, (5-Acetamino-3-carboxy-2,4,6-trijod-phenyl)-essigsaure-methylamid [French], Acetanilide, 3-carboxy-5-(methylcarbamoylmethyl)-2,4,6-triiodo-, (5-Acetamino-3-carboxy-2,4,6-trijod-phenyl)-essigsaure-methylamid, 3-acetamido-2,4,6-triiodo-5-[2-(methylamino)-2-oxoethyl]benzoic acid
| Molecular Formula | C12H11I3N2O4 |
|---|---|
| Molecular Weight | 627.79 g/mol |
| LogP | 2.4455 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 627.7853 |
| Heavy Atoms | 21 |
| Complexity | 631.66394 |
Chemical Identifiers
| CAS Number | 32637-73-3 |
|---|---|
| SMILES | CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)CC(=O)NC)I |
Product Overview
Benzoic acid, 3-acetamido-5-(methylcarbamoylmethyl)- (CAS 32637-73-3), with molecular formula C12H11I3N2O4 and molecular weight 627.79 g/mol. IUPAC: 3-acetamido-2,4,6-triiodo-5-[2-(methylamino)-2-oxoethyl]benzoic acid.
Chemical Property Profile of Benzoic acid, 3-acetamido-5-(methylcarbamoylmethyl)-
Property Insights of Benzoic acid, 3-acetamido-5-(methylcarbamoylmethyl)-
The XLogP value of 2.4455 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-acetamido-5-(methylcarbamoylmethyl)-. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-acetamido-5-(methylcarbamoylmethyl)-. Following Lipinski's Rule of Five, Benzoic acid, 3-acetamido-5-(methylcarbamoylmethyl)- has 3 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-acetamido-5-(methylcarbamoylmethyl)-?
The CAS number of Benzoic acid, 3-acetamido-5-(methylcarbamoylmethyl)- is 32637-73-3.
What is the molecular formula of Benzoic acid, 3-acetamido-5-(methylcarbamoylmethyl)-?
The molecular formula of Benzoic acid, 3-acetamido-5-(methylcarbamoylmethyl)- is C12H11I3N2O4.
What is the molecular weight of Benzoic acid, 3-acetamido-5-(methylcarbamoylmethyl)-?
The molecular weight of Benzoic acid, 3-acetamido-5-(methylcarbamoylmethyl)- is 627.79 g/mol.
Where can I buy Benzoic acid, 3-acetamido-5-(methylcarbamoylmethyl)-?
You can request a quote for Benzoic acid, 3-acetamido-5-(methylcarbamoylmethyl)- 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-(methylcarbamoylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-acetamido-5-(methylcarbamoylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.