Benzoic acid, 3-acetamido-5-acetamidomethyl-2,4,6-triiodo-, methyl ester
TL;DR: Benzoic acid, 3-acetamido-5-acetamidomethyl-2,4,6-triiodo-, methyl ester (CAS 739-52-6) is a chemical compound with molecular formula C13H13I3N2O4 and molecular weight 641.80 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoate
Also Known As: BENZOIC ACID, 3-ACETAMIDO-5-ACETAMIDOMETHYL-2,4,6-TRIIODO-, METHYL ESTER, 3-Acetamido-5-acetamidomethyl-2,4,6-triiodobenzoic acid methyl ester, methyl 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoate, 3-Acetylamino-5-acetylaminomethyl-2,4,6-triiodobenzoic acid methyl ester, BRN 2776128
| Molecular Formula | C13H13I3N2O4 |
|---|---|
| Molecular Weight | 641.80 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 641.8009 |
| Heavy Atoms | 22 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 739-52-6 |
|---|---|
| SMILES | CC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)OC)I |
| InChIKey | QFMJCLURWFGWEE-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3-acetamido-5-acetamidomethyl-2,4,6-triiodo-, methyl ester (CAS 739-52-6), with molecular formula C13H13I3N2O4 and molecular weight 641.80 g/mol. IUPAC: methyl 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoate.
Chemical Property Profile of Benzoic acid, 3-acetamido-5-acetamidomethyl-2,4,6-triiodo-, methyl ester
Property Insights of Benzoic acid, 3-acetamido-5-acetamidomethyl-2,4,6-triiodo-, methyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-acetamido-5-acetamidomethyl-2,4,6-triiodo-, methyl ester. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-acetamido-5-acetamidomethyl-2,4,6-triiodo-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 3-acetamido-5-acetamidomethyl-2,4,6-triiodo-, methyl ester 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 Benzoic acid, 3-acetamido-5-acetamidomethyl-2,4,6-triiodo-, methyl ester?
The CAS number of Benzoic acid, 3-acetamido-5-acetamidomethyl-2,4,6-triiodo-, methyl ester is 739-52-6.
What is the molecular formula of Benzoic acid, 3-acetamido-5-acetamidomethyl-2,4,6-triiodo-, methyl ester?
The molecular formula of Benzoic acid, 3-acetamido-5-acetamidomethyl-2,4,6-triiodo-, methyl ester is C13H13I3N2O4.
What is the molecular weight of Benzoic acid, 3-acetamido-5-acetamidomethyl-2,4,6-triiodo-, methyl ester?
The molecular weight of Benzoic acid, 3-acetamido-5-acetamidomethyl-2,4,6-triiodo-, methyl ester is 641.80 g/mol.
Where can I buy Benzoic acid, 3-acetamido-5-acetamidomethyl-2,4,6-triiodo-, methyl ester?
You can request a quote for Benzoic acid, 3-acetamido-5-acetamidomethyl-2,4,6-triiodo-, methyl ester 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-acetamidomethyl-2,4,6-triiodo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-acetamido-5-acetamidomethyl-2,4,6-triiodo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.