RefChem:349321
TL;DR: RefChem:349321 (CAS 88461-86-3) is a chemical compound with molecular formula C25H28BrClN2O5 and molecular weight 550.09 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-methylphenyl)-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate chloride
Also Known As: Indole-3-carboxylic acid, 6-bromo-5-hydroxy-2-(morpholinomethyl)-1-(p-tolyl)-, ethyl ester, acetate (ester), hydrochloride, ETHYL5-ACETYLOXY-6-BROMO-1-(4-METHYLPHENYL)-2-(MORPHOLIN-4-IUM-4-YLMETHYL)INDOLE-3-CARBOXYLATE CHLORIDE, INDOLE-3-CARBOXYLIC ACID, 6-BROMO-5-HYDROXY-2-(MORPHOLINOMETHYL)-1-(p-TOLYL)-, E, ethyl 5-acetyloxy-6-bromo-1-(4-methylphenyl)-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate chloride, RefChem:349321
| Molecular Formula | C25H28BrClN2O5 |
|---|---|
| Molecular Weight | 550.09 g/mol |
| LogP | 0.22 |
| Topological Polar Surface Area | 71.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 550.08704 |
| Heavy Atoms | 34 |
| Complexity | 680.0 |
Chemical Identifiers
| CAS Number | 88461-86-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C3=CC=C(C=C3)C)C[NH+]4CCOCC4.[Cl-] |
| InChIKey | LAYFBOYKPMCILT-UHFFFAOYSA-N |
Product Overview
RefChem:349321 (CAS 88461-86-3), with molecular formula C25H28BrClN2O5 and molecular weight 550.09 g/mol. IUPAC: ethyl 5-acetyloxy-6-bromo-1-(4-methylphenyl)-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate chloride.
Chemical Property Profile of RefChem:349321
Property Insights of RefChem:349321
The XLogP value of 0.22 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:349321. The TPSA of 71.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:349321. Following Lipinski's Rule of Five, RefChem:349321 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:349321?
The CAS number of RefChem:349321 is 88461-86-3.
What is the molecular formula of RefChem:349321?
The molecular formula of RefChem:349321 is C25H28BrClN2O5.
What is the molecular weight of RefChem:349321?
The molecular weight of RefChem:349321 is 550.09 g/mol.
Where can I buy RefChem:349321?
You can request a quote for RefChem:349321 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349321?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349321 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.