ChemDiv1_017680
TL;DR: ChemDiv1_017680 (CAS 159187-32-3) is a chemical compound with molecular formula C23H25BrN2O4 and molecular weight 472.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-phenylindole-3-carboxylate
Also Known As: ChemDiv1_017680, A2068/0087014, ethyl 6-bromo-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-phenyl-1H-indole-3-carboxylate, ethyl 6-bromo-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-phenylindole-3-carboxylate, ethyl 6-bromo-5-hydroxy-2-methyl-4-(morpholinomethyl)-1-phenyl-1H-indole-3-carboxylate
| Molecular Formula | C23H25BrN2O4 |
|---|---|
| Molecular Weight | 472.10 g/mol |
| LogP | 4.41592 |
| Topological Polar Surface Area | 63.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.09976 |
| Heavy Atoms | 30 |
| Complexity | 1072.2369 |
Chemical Identifiers
| CAS Number | 159187-32-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3CCOCC3)O)Br)C4=CC=CC=C4)C |
Product Overview
ChemDiv1_017680 (CAS 159187-32-3), with molecular formula C23H25BrN2O4 and molecular weight 472.10 g/mol. IUPAC: ethyl 6-bromo-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-phenylindole-3-carboxylate.
Chemical Property Profile of ChemDiv1_017680
Property Insights of ChemDiv1_017680
The XLogP value of 4.41592 indicates that ChemDiv1_017680 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.93 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_017680. Following Lipinski's Rule of Five, ChemDiv1_017680 has 1 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 ChemDiv1_017680?
The CAS number of ChemDiv1_017680 is 159187-32-3.
What is the molecular formula of ChemDiv1_017680?
The molecular formula of ChemDiv1_017680 is C23H25BrN2O4.
What is the molecular weight of ChemDiv1_017680?
The molecular weight of ChemDiv1_017680 is 472.10 g/mol.
Where can I buy ChemDiv1_017680?
You can request a quote for ChemDiv1_017680 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_017680?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_017680 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.