A2047/0086085
TL;DR: A2047/0086085 (CAS 159187-27-6) 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 6-bromo-5-hydroxy-2-methyl-1-phenyl-4-(piperidin-1-ylmethyl)indole-3-carboxylate
Also Known As: A2047/0086085, ethyl 6-bromo-5-hydroxy-2-methyl-1-phenyl-4-(piperidin-1-ylmethyl)-1H-indole-3-carboxylate, ethyl 6-bromo-5-hydroxy-2-methyl-1-phenyl-4-(piperidin-1-ylmethyl)indole-3-carboxylate, ethyl 6-bromo-5-hydroxy-2-methyl-1-phenyl-4-(piperidylmethyl)indole-3-carboxyl ate, ETHYL 6-BROMO-5-HYDROXY-2-METHYL-1-PHENYL-4-[(PIPERIDIN-1-YL)METHYL]-1H-INDOLE-3-CARBOXYLATE
| Molecular Formula | C24H27BrN2O3 |
|---|---|
| Molecular Weight | 470.12 g/mol |
| LogP | 5.56962 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 470.1205 |
| Heavy Atoms | 30 |
| Complexity | 1069.4849 |
Chemical Identifiers
| CAS Number | 159187-27-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3CCCCC3)O)Br)C4=CC=CC=C4)C |
Product Overview
A2047/0086085 (CAS 159187-27-6), with molecular formula C24H27BrN2O3 and molecular weight 470.12 g/mol. IUPAC: ethyl 6-bromo-5-hydroxy-2-methyl-1-phenyl-4-(piperidin-1-ylmethyl)indole-3-carboxylate.
Chemical Property Profile of A2047/0086085
Property Insights of A2047/0086085
The XLogP value of 5.56962 indicates that A2047/0086085 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.7 Ų, A2047/0086085 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2047/0086085 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 A2047/0086085?
The CAS number of A2047/0086085 is 159187-27-6.
What is the molecular formula of A2047/0086085?
The molecular formula of A2047/0086085 is C24H27BrN2O3.
What is the molecular weight of A2047/0086085?
The molecular weight of A2047/0086085 is 470.12 g/mol.
Where can I buy A2047/0086085?
You can request a quote for A2047/0086085 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2047/0086085?
Yes, KEHONG BIO provides custom synthesis services for A2047/0086085 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.