RefChem:357899
TL;DR: RefChem:357899 (CAS 15894-41-4) is a chemical compound with molecular formula C16H23IN2O5 and molecular weight 450.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hydroxy-4-[3-(4-methylmorpholin-4-ium-4-yl)propanoylamino]benzoate iodide
Also Known As: 4-(2-((4-Carboxy-3-hydroxyphenyl)carbamoyl)ethyl)-4-methylmorpholinium iodide methyl ester, Morpholinium, 4-(2-((4-carboxy-3-hydroxyphenyl)carbamoyl)ethyl)-4-methyl-, iodide, methyl ester, methyl 2-hydroxy-4-[3-(4-methylmorpholin-4-ium-4-yl)propanoylamino]benzoate iodide, RefChem:357899
| Molecular Formula | C16H23IN2O5 |
|---|---|
| Molecular Weight | 450.07 g/mol |
| LogP | -2.0118 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.06516 |
| Heavy Atoms | 24 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 15894-41-4 |
|---|---|
| SMILES | C[N+]1(CCOCC1)CCC(=O)NC2=CC(=C(C=C2)C(=O)OC)O.[I-] |
| InChIKey | YSWWMSUEMVJWLQ-UHFFFAOYSA-N |
Product Overview
RefChem:357899 (CAS 15894-41-4), with molecular formula C16H23IN2O5 and molecular weight 450.07 g/mol. IUPAC: methyl 2-hydroxy-4-[3-(4-methylmorpholin-4-ium-4-yl)propanoylamino]benzoate iodide.
Chemical Property Profile of RefChem:357899
Property Insights of RefChem:357899
The XLogP value of -2.0118 indicates that RefChem:357899 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:357899. Following Lipinski's Rule of Five, RefChem:357899 has 2 hydrogen bond donor(s) and 6 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:357899?
The CAS number of RefChem:357899 is 15894-41-4.
What is the molecular formula of RefChem:357899?
The molecular formula of RefChem:357899 is C16H23IN2O5.
What is the molecular weight of RefChem:357899?
The molecular weight of RefChem:357899 is 450.07 g/mol.
Where can I buy RefChem:357899?
You can request a quote for RefChem:357899 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:357899?
Yes, KEHONG BIO provides custom synthesis services for RefChem:357899 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.