C22H23BrN2O4.ClH
TL;DR: C22H23BrN2O4.ClH (CAS 88461-88-5) is a chemical compound with molecular formula C22H24BrClN2O4 and molecular weight 494.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-5-hydroxy-2-(morpholin-4-ium-4-ylmethyl)-1-phenylindole-3-carboxylate chloride
Also Known As: 1-Phenyl-2-morpholinomethyl-3-ethoxycarbonyl-5-hydroxy-6-bromoindole hydrochloride, 6-Bromo-5-hydroxy-2-(morpholinomethyl)-1-phenylindole-3-carboxylic acid ethyl ester HCl, Indole-3-carboxylic acid, 6-bromo-5-hydroxy-2-(morpholinomethyl)-1-phenyl-, ethyl ester, hydrochloride, INDOLE-3-CARBOXYLIC ACID, 6-BROMO-5-HYDROXY-2-(MORPHOLINOMETHYL)-1-PHENYL-, ETHY, ethyl 6-bromo-5-hydroxy-2-(morpholin-4-ium-4-ylmethyl)-1-phenylindole-3-carboxylate chloride
| Molecular Formula | C22H24BrClN2O4 |
|---|---|
| Molecular Weight | 494.06 g/mol |
| LogP | -0.31 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 494.0608 |
| Heavy Atoms | 30 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 88461-88-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3=CC=CC=C3)C[NH+]4CCOCC4.[Cl-] |
| InChIKey | SOSYXINOWQRFOZ-UHFFFAOYSA-N |
Product Overview
C22H23BrN2O4.ClH (CAS 88461-88-5), with molecular formula C22H24BrClN2O4 and molecular weight 494.06 g/mol. IUPAC: ethyl 6-bromo-5-hydroxy-2-(morpholin-4-ium-4-ylmethyl)-1-phenylindole-3-carboxylate chloride.
Chemical Property Profile of C22H23BrN2O4.ClH
Property Insights of C22H23BrN2O4.ClH
The XLogP value of -0.31 indicates that C22H23BrN2O4.ClH is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for C22H23BrN2O4.ClH. Following Lipinski's Rule of Five, C22H23BrN2O4.ClH 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 C22H23BrN2O4.ClH?
The CAS number of C22H23BrN2O4.ClH is 88461-88-5.
What is the molecular formula of C22H23BrN2O4.ClH?
The molecular formula of C22H23BrN2O4.ClH is C22H24BrClN2O4.
What is the molecular weight of C22H23BrN2O4.ClH?
The molecular weight of C22H23BrN2O4.ClH is 494.06 g/mol.
Where can I buy C22H23BrN2O4.ClH?
You can request a quote for C22H23BrN2O4.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H23BrN2O4.ClH?
Yes, KEHONG BIO provides custom synthesis services for C22H23BrN2O4.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.