ChemDiv1_002488
TL;DR: ChemDiv1_002488 (CAS 294874-66-1) is a chemical compound with molecular formula C22H29BrN2O3 and molecular weight 448.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-1-cyclohexyl-5-hydroxy-2-(pyrrolidin-1-ylmethyl)indole-3-carboxylate
Also Known As: ChemDiv1_002488, A1411/0063100, ethyl 6-bromo-1-cyclohexyl-5-hydroxy-2-(pyrrolidin-1-ylmethyl)-1H-indole-3-carboxylate, ethyl 6-bromo-1-cyclohexyl-5-hydroxy-2-(1-pyrrolidinylmethyl)-1H-indole-3-carboxylate, ethyl 6-bromo-1-cyclohexyl-5-hydroxy-2-(pyrrolidin-1-ylmethyl)indole-3-carboxylate
| Molecular Formula | C22H29BrN2O3 |
|---|---|
| Molecular Weight | 448.14 g/mol |
| LogP | 5.3871 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.13617 |
| Heavy Atoms | 28 |
| Complexity | 864.5244 |
Chemical Identifiers
| CAS Number | 294874-66-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3CCCCC3)CN4CCCC4 |
Product Overview
ChemDiv1_002488 (CAS 294874-66-1), with molecular formula C22H29BrN2O3 and molecular weight 448.14 g/mol. IUPAC: ethyl 6-bromo-1-cyclohexyl-5-hydroxy-2-(pyrrolidin-1-ylmethyl)indole-3-carboxylate.
Chemical Property Profile of ChemDiv1_002488
Property Insights of ChemDiv1_002488
The XLogP value of 5.3871 indicates that ChemDiv1_002488 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.7 Ų, ChemDiv1_002488 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_002488 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_002488?
The CAS number of ChemDiv1_002488 is 294874-66-1.
What is the molecular formula of ChemDiv1_002488?
The molecular formula of ChemDiv1_002488 is C22H29BrN2O3.
What is the molecular weight of ChemDiv1_002488?
The molecular weight of ChemDiv1_002488 is 448.14 g/mol.
Where can I buy ChemDiv1_002488?
You can request a quote for ChemDiv1_002488 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002488?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002488 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.