BAS 11216017
TL;DR: BAS 11216017 (CAS 774562-07-1) is a chemical compound with molecular formula C18H25N3O3 and molecular weight 331.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazine-1-carboxylate
Also Known As: BAS 11216017, ethyl 4-[2-(2-methyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]piperazine-1-carboxylate, ethyl 4-[2-(2-methylindolinyl)-2-oxoethyl]piperazinecarboxylate, ethyl 4-(2-(2-methylindolin-1-yl)-2-oxoethyl)piperazine-1-carboxylate, ethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazine-1-carboxylate
| Molecular Formula | C18H25N3O3 |
|---|---|
| Molecular Weight | 331.19 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.1896 |
| Heavy Atoms | 24 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 774562-07-1 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CC(=O)N2C(CC3=CC=CC=C32)C |
| InChIKey | QDOASVSKBXTIOA-UHFFFAOYSA-N |
Product Overview
BAS 11216017 (CAS 774562-07-1), with molecular formula C18H25N3O3 and molecular weight 331.19 g/mol. IUPAC: ethyl 4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazine-1-carboxylate.
Chemical Property Profile of BAS 11216017
Property Insights of BAS 11216017
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 11216017. With a topological polar surface area (TPSA) of 53.1 Ų, BAS 11216017 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 11216017 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 BAS 11216017?
The CAS number of BAS 11216017 is 774562-07-1.
What is the molecular formula of BAS 11216017?
The molecular formula of BAS 11216017 is C18H25N3O3.
What is the molecular weight of BAS 11216017?
The molecular weight of BAS 11216017 is 331.19 g/mol.
Where can I buy BAS 11216017?
You can request a quote for BAS 11216017 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11216017?
Yes, KEHONG BIO provides custom synthesis services for BAS 11216017 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.