RefChem:318749
TL;DR: RefChem:318749 (CAS 73680-82-7) is a chemical compound with molecular formula C15H23IN2O4 and molecular weight 422.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-ethoxycarbonyl-3-hydroxyanilino)-3-oxopropyl]-trimethylazanium iodide
Also Known As: Ethyl 4-(3-dimethylaminopropionylamino)salicylate, methiodide, 2-[carbamoyl]ethyl-trimethyl-azaniumiodide, 2-[ carbamoyl]ethyl-trimethyl-azaniumiodide, Salicylic acid, 4-(3-dimethylaminopropionamido)-, ethyl ester, methiodide, Ammonium, (2-(4-carboxy-3-hydroxycarbanilino)ethyl)trimethyl-, iodide, ethyl ester
| Molecular Formula | C15H23IN2O4 |
|---|---|
| Molecular Weight | 422.07 g/mol |
| LogP | -1.39 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.07025 |
| Heavy Atoms | 22 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 73680-82-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=C(C=C1)NC(=O)CC[N+](C)(C)C)O.[I-] |
| InChIKey | DHJLBAOPVCZOAV-UHFFFAOYSA-N |
Product Overview
RefChem:318749 (CAS 73680-82-7), with molecular formula C15H23IN2O4 and molecular weight 422.07 g/mol. IUPAC: [3-(4-ethoxycarbonyl-3-hydroxyanilino)-3-oxopropyl]-trimethylazanium iodide.
Chemical Property Profile of RefChem:318749
Property Insights of RefChem:318749
The XLogP value of -1.39 indicates that RefChem:318749 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:318749. Following Lipinski's Rule of Five, RefChem:318749 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:318749?
The CAS number of RefChem:318749 is 73680-82-7.
What is the molecular formula of RefChem:318749?
The molecular formula of RefChem:318749 is C15H23IN2O4.
What is the molecular weight of RefChem:318749?
The molecular weight of RefChem:318749 is 422.07 g/mol.
Where can I buy RefChem:318749?
You can request a quote for RefChem:318749 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318749?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318749 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.