RefChem:318912
TL;DR: RefChem:318912 (CAS 13087-46-2) 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.
diethyl-[2-(3-hydroxy-4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium iodide
Also Known As: Methyl 4-(2-(diethylamino)acetylamino)salicylate, methiodide, Salicylic acid, 4-(2-(diethylamino)acetamido)-, methyl ester, methiodide, Ammonium, (4-carboxy-3-hydroxycarbanilinomethyl)diethylmethyl-, iodide, methyl ester, diethyl-[2-(3-hydroxy-4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium iodide, diethyl-[2-(3-hydroxy-4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
| 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 | 369.0 |
Chemical Identifiers
| CAS Number | 13087-46-2 |
|---|---|
| SMILES | CC[N+](C)(CC)CC(=O)NC1=CC(=C(C=C1)C(=O)OC)O.[I-] |
| InChIKey | HDVHRPXDCVFXGL-UHFFFAOYSA-N |
Product Overview
RefChem:318912 (CAS 13087-46-2), with molecular formula C15H23IN2O4 and molecular weight 422.07 g/mol. IUPAC: diethyl-[2-(3-hydroxy-4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium iodide.
Chemical Property Profile of RefChem:318912
Property Insights of RefChem:318912
The XLogP value of -1.39 indicates that RefChem:318912 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:318912. Following Lipinski's Rule of Five, RefChem:318912 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:318912?
The CAS number of RefChem:318912 is 13087-46-2.
What is the molecular formula of RefChem:318912?
The molecular formula of RefChem:318912 is C15H23IN2O4.
What is the molecular weight of RefChem:318912?
The molecular weight of RefChem:318912 is 422.07 g/mol.
Where can I buy RefChem:318912?
You can request a quote for RefChem:318912 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318912?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318912 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.