ChemDiv1_002986
TL;DR: ChemDiv1_002986 (CAS 330952-40-4) is a chemical compound with molecular formula C20H27BrN2O3 and molecular weight 422.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-5-methoxy-1-methyl-2-[(4-methylpiperidin-1-yl)methyl]indole-3-carboxylate
Also Known As: ChemDiv1_002986, A2066/0086912, ethyl 6-bromo-5-methoxy-1-methyl-2-[(4-methylpiperidin-1-yl)methyl]indole-3-carboxylate, 6-Bromo-5-methoxy-1-methyl-2-(4-methyl-piperidin-1-ylmethyl)-1H-indole-3-carboxylic acid ethyl ester, ethyl 6-bromo-5-methoxy-1-methyl-2-((4-methylpiperidin-1-yl)methyl)-1H-indole-3-carboxylate
| Molecular Formula | C20H27BrN2O3 |
|---|---|
| Molecular Weight | 422.12 g/mol |
| LogP | 4.358 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.1205 |
| Heavy Atoms | 26 |
| Complexity | 807.22455 |
Chemical Identifiers
| CAS Number | 330952-40-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)CN3CCC(CC3)C |
Product Overview
ChemDiv1_002986 (CAS 330952-40-4), with molecular formula C20H27BrN2O3 and molecular weight 422.12 g/mol. IUPAC: ethyl 6-bromo-5-methoxy-1-methyl-2-[(4-methylpiperidin-1-yl)methyl]indole-3-carboxylate.
Chemical Property Profile of ChemDiv1_002986
Property Insights of ChemDiv1_002986
The XLogP value of 4.358 indicates that ChemDiv1_002986 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.7 Ų, ChemDiv1_002986 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_002986 has 0 hydrogen bond donor(s) and 4 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_002986?
The CAS number of ChemDiv1_002986 is 330952-40-4.
What is the molecular formula of ChemDiv1_002986?
The molecular formula of ChemDiv1_002986 is C20H27BrN2O3.
What is the molecular weight of ChemDiv1_002986?
The molecular weight of ChemDiv1_002986 is 422.12 g/mol.
Where can I buy ChemDiv1_002986?
You can request a quote for ChemDiv1_002986 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002986?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002986 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.