ChemDiv1_002796
TL;DR: ChemDiv1_002796 (CAS 313400-62-3) is a chemical compound with molecular formula C24H27BrN2O3 and molecular weight 470.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-benzyl-6-bromo-5-hydroxy-2-(piperidin-1-ylmethyl)indole-3-carboxylate
Also Known As: ChemDiv1_002796, BRD-K01976021-001-01-8, ethyl 1-benzyl-6-bromo-5-hydroxy-2-(piperidin-1-ylmethyl)-1H-indole-3-carboxylate, ETHYL 1-BENZYL-6-BROMO-5-HYDROXY-2-[(PIPERIDIN-1-YL)METHYL]-1H-INDOLE-3-CARBOXYLATE
| Molecular Formula | C24H27BrN2O3 |
|---|---|
| Molecular Weight | 470.12 g/mol |
| LogP | 5.3203 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 470.1205 |
| Heavy Atoms | 30 |
| Complexity | 1039.7808 |
Chemical Identifiers
| CAS Number | 313400-62-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)CC3=CC=CC=C3)CN4CCCCC4 |
Product Overview
ChemDiv1_002796 (CAS 313400-62-3), with molecular formula C24H27BrN2O3 and molecular weight 470.12 g/mol. IUPAC: ethyl 1-benzyl-6-bromo-5-hydroxy-2-(piperidin-1-ylmethyl)indole-3-carboxylate.
Chemical Property Profile of ChemDiv1_002796
Property Insights of ChemDiv1_002796
The XLogP value of 5.3203 indicates that ChemDiv1_002796 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_002796 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_002796 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_002796?
The CAS number of ChemDiv1_002796 is 313400-62-3.
What is the molecular formula of ChemDiv1_002796?
The molecular formula of ChemDiv1_002796 is C24H27BrN2O3.
What is the molecular weight of ChemDiv1_002796?
The molecular weight of ChemDiv1_002796 is 470.12 g/mol.
Where can I buy ChemDiv1_002796?
You can request a quote for ChemDiv1_002796 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002796?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002796 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.