A1866/0078458
TL;DR: A1866/0078458 (CAS 330556-87-1) is a chemical compound with molecular formula C25H30BrN3O3 and molecular weight 499.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-phenyl-2-(pyrrolidin-1-ylmethyl)indole-3-carboxylate
Also Known As: A1866/0078458, 6-bromo-4-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-1-phenyl-2-(pyrrolidin-1-ylmethyl)indol-5-olate, ethyl 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-phenyl-2-(pyrrolidin-1-ylmethyl)-1H-indole-3-carboxylate, ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-phenyl-2-(pyrrolidin-1-ylmethyl)indole-3-carboxylate, ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-phenyl-2-(1-pyrrolidinylmethyl)-1H-indole-3-carboxylate
| Molecular Formula | C25H30BrN3O3 |
|---|---|
| Molecular Weight | 499.15 g/mol |
| LogP | 4.9327 |
| Topological Polar Surface Area | 57.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 499.14706 |
| Heavy Atoms | 32 |
| Complexity | 1118.9028 |
Chemical Identifiers
| CAS Number | 330556-87-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C3=CC=CC=C3)CN4CCCC4 |
Product Overview
A1866/0078458 (CAS 330556-87-1), with molecular formula C25H30BrN3O3 and molecular weight 499.15 g/mol. IUPAC: ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-phenyl-2-(pyrrolidin-1-ylmethyl)indole-3-carboxylate.
Chemical Property Profile of A1866/0078458
Property Insights of A1866/0078458
The XLogP value of 4.9327 indicates that A1866/0078458 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.94 Ų, A1866/0078458 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A1866/0078458 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 A1866/0078458?
The CAS number of A1866/0078458 is 330556-87-1.
What is the molecular formula of A1866/0078458?
The molecular formula of A1866/0078458 is C25H30BrN3O3.
What is the molecular weight of A1866/0078458?
The molecular weight of A1866/0078458 is 499.15 g/mol.
Where can I buy A1866/0078458?
You can request a quote for A1866/0078458 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1866/0078458?
Yes, KEHONG BIO provides custom synthesis services for A1866/0078458 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.