RefChem:349320
TL;DR: RefChem:349320 (CAS 88461-87-4) is a chemical compound with molecular formula C25H28BrClN2O6 and molecular weight 566.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-acetyloxy-6-bromo-1-(4-methoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate chloride
Also Known As: Indole-3-carboxylic acid, 6-bromo-5-hydroxy-1-(p-methoxyphenyl)-2-(morpholinomethyl)-, ethyl ester, acetate (ester), hydrochloride, ETHYL5-ACETYLOXY-6-BROMO-1-(4-METHOXYPHENYL)-2-(MORPHOLIN-4-IUM-4-YLMETHYL)INDOLE-3-CARBOXYLATE CHLORIDE, INDOLE-3-CARBOXYLIC ACID, 6-BROMO-5-HYDROXY-1-(p-METHOXYPHENYL)-2-(MORPHOLINOMET, ethyl 5-acetyloxy-6-bromo-1-(4-methoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate chloride, RefChem:349320
| Molecular Formula | C25H28BrClN2O6 |
|---|---|
| Molecular Weight | 566.08 g/mol |
| LogP | -0.08 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 566.0819 |
| Heavy Atoms | 35 |
| Complexity | 697.0 |
Chemical Identifiers
| CAS Number | 88461-87-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C3=CC=C(C=C3)OC)C[NH+]4CCOCC4.[Cl-] |
| InChIKey | PHSKEOJEIFVOLW-UHFFFAOYSA-N |
Product Overview
RefChem:349320 (CAS 88461-87-4), with molecular formula C25H28BrClN2O6 and molecular weight 566.08 g/mol. IUPAC: ethyl 5-acetyloxy-6-bromo-1-(4-methoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate chloride.
Chemical Property Profile of RefChem:349320
Property Insights of RefChem:349320
The XLogP value of -0.08 indicates that RefChem:349320 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:349320. Following Lipinski's Rule of Five, RefChem:349320 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:349320?
The CAS number of RefChem:349320 is 88461-87-4.
What is the molecular formula of RefChem:349320?
The molecular formula of RefChem:349320 is C25H28BrClN2O6.
What is the molecular weight of RefChem:349320?
The molecular weight of RefChem:349320 is 566.08 g/mol.
Where can I buy RefChem:349320?
You can request a quote for RefChem:349320 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349320?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349320 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.