ChemDiv1_002490
TL;DR: ChemDiv1_002490 (CAS 313400-63-4) 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 1-benzyl-6-bromo-5-hydroxy-2-(morpholin-4-ylmethyl)indole-3-carboxylate
Also Known As: ChemDiv1_002490, BRD-K49581916-001-01-8, ethyl 1-benzyl-6-bromo-5-hydroxy-2-(4-morpholinylmethyl)-1H-indole-3-carboxylate, ethyl 1-benzyl-6-bromo-5-hydroxy-2-(morpholin-4-ylmethyl)-1H-indole-3-carboxylate, ethyl 1-benzyl-6-bromo-5-hydroxy-2-(morpholin-4-ylmethyl)indole-3-carboxylate
| Molecular Formula | C23H25BrN2O4 |
|---|---|
| Molecular Weight | 472.10 g/mol |
| LogP | 4.1666 |
| Topological Polar Surface Area | 63.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 472.09976 |
| Heavy Atoms | 30 |
| Complexity | 1042.5328 |
Chemical Identifiers
| CAS Number | 313400-63-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)CC3=CC=CC=C3)CN4CCOCC4 |
Product Overview
ChemDiv1_002490 (CAS 313400-63-4), with molecular formula C23H25BrN2O4 and molecular weight 472.10 g/mol. IUPAC: ethyl 1-benzyl-6-bromo-5-hydroxy-2-(morpholin-4-ylmethyl)indole-3-carboxylate.
Chemical Property Profile of ChemDiv1_002490
Property Insights of ChemDiv1_002490
The XLogP value of 4.1666 indicates that ChemDiv1_002490 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_002490. Following Lipinski's Rule of Five, ChemDiv1_002490 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_002490?
The CAS number of ChemDiv1_002490 is 313400-63-4.
What is the molecular formula of ChemDiv1_002490?
The molecular formula of ChemDiv1_002490 is C23H25BrN2O4.
What is the molecular weight of ChemDiv1_002490?
The molecular weight of ChemDiv1_002490 is 472.10 g/mol.
Where can I buy ChemDiv1_002490?
You can request a quote for ChemDiv1_002490 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002490?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002490 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.