ChemDiv1_018227
TL;DR: ChemDiv1_018227 (CAS 40963-86-8) is a chemical compound with molecular formula C18H23BrN2O4 and molecular weight 410.08 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-(morpholin-4-ylmethyl)indole-3-carboxylate
Also Known As: ChemDiv1_018227, BAS 01507221, ethyl 6-bromo-5-methoxy-1-methyl-2-[(morpholin-4-yl)methyl]-1H-indole-3-carboxylate, ethyl 6-bromo-5-methoxy-1-methyl-2-(morpholin-4-ylmethyl)indole-3-carboxylate, ethyl 6-bromo-5-methoxy-1-methyl-2-(morpholin-4-ylmethyl)-1H-indole-3-carboxylate
| Molecular Formula | C18H23BrN2O4 |
|---|---|
| Molecular Weight | 410.08 g/mol |
| LogP | 2.9583 |
| Topological Polar Surface Area | 52.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.0841 |
| Heavy Atoms | 25 |
| Complexity | 781.2094 |
Chemical Identifiers
| CAS Number | 40963-86-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)CN3CCOCC3 |
Product Overview
ChemDiv1_018227 (CAS 40963-86-8), with molecular formula C18H23BrN2O4 and molecular weight 410.08 g/mol. IUPAC: ethyl 6-bromo-5-methoxy-1-methyl-2-(morpholin-4-ylmethyl)indole-3-carboxylate.
Chemical Property Profile of ChemDiv1_018227
Property Insights of ChemDiv1_018227
The XLogP value of 2.9583 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_018227. With a topological polar surface area (TPSA) of 52.93 Ų, ChemDiv1_018227 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_018227 has 0 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_018227?
The CAS number of ChemDiv1_018227 is 40963-86-8.
What is the molecular formula of ChemDiv1_018227?
The molecular formula of ChemDiv1_018227 is C18H23BrN2O4.
What is the molecular weight of ChemDiv1_018227?
The molecular weight of ChemDiv1_018227 is 410.08 g/mol.
Where can I buy ChemDiv1_018227?
You can request a quote for ChemDiv1_018227 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_018227?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_018227 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.