BAS 00866717
TL;DR: BAS 00866717 (CAS 332052-45-6) is a chemical compound with molecular formula C20H19ClN2OS and molecular weight 370.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-(3-chlorophenyl)methanone
Also Known As: BAS 00866717, AE-848/10129060, (1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)(3-chlorophenyl)methanone, (1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-(3-chlorophenyl)methanone, 1-amino-5-ethyl(6,7,8,9-tetrahydrothiopheno[2,3-c]isoquinolin-2-yl) 3-chloroph enyl ketone
| Molecular Formula | C20H19ClN2OS |
|---|---|
| Molecular Weight | 370.09 g/mol |
| LogP | 5.2041 |
| Topological Polar Surface Area | 55.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 370.09067 |
| Heavy Atoms | 25 |
| Complexity | 993.0151 |
Chemical Identifiers
| CAS Number | 332052-45-6 |
|---|---|
| SMILES | CCC1=NC2=C(C3=C1CCCC3)C(=C(S2)C(=O)C4=CC(=CC=C4)Cl)N |
Product Overview
BAS 00866717 (CAS 332052-45-6), with molecular formula C20H19ClN2OS and molecular weight 370.09 g/mol. IUPAC: (1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-(3-chlorophenyl)methanone.
Chemical Property Profile of BAS 00866717
Property Insights of BAS 00866717
The XLogP value of 5.2041 indicates that BAS 00866717 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.98 Ų, BAS 00866717 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00866717 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 BAS 00866717?
The CAS number of BAS 00866717 is 332052-45-6.
What is the molecular formula of BAS 00866717?
The molecular formula of BAS 00866717 is C20H19ClN2OS.
What is the molecular weight of BAS 00866717?
The molecular weight of BAS 00866717 is 370.09 g/mol.
Where can I buy BAS 00866717?
You can request a quote for BAS 00866717 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00866717?
Yes, KEHONG BIO provides custom synthesis services for BAS 00866717 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.