BAS 00821711
TL;DR: BAS 00821711 (CAS 296791-00-9) is a chemical compound with molecular formula C22H26N2O2S and molecular weight 382.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]cyclohexanecarboxamide
Also Known As: BAS 00821711, BIM-0033173.P001, N-[[1,2,3,4-Tetrahydro-2-(2-thienylcarbonyl)-1-isoquinolinyl]methyl]cyclohexanecarboxamide, N-[[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]cyclohexanecarboxamide, N-{[2-(2-thienylcarbonyl)-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}cyclohexanecarboxamide
| Molecular Formula | C22H26N2O2S |
|---|---|
| Molecular Weight | 382.17 g/mol |
| LogP | 4.1842 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.1715 |
| Heavy Atoms | 27 |
| Complexity | 796.40393 |
Chemical Identifiers
| CAS Number | 296791-00-9 |
|---|---|
| SMILES | C1CCC(CC1)C(=O)NCC2C3=CC=CC=C3CCN2C(=O)C4=CC=CS4 |
Product Overview
BAS 00821711 (CAS 296791-00-9), with molecular formula C22H26N2O2S and molecular weight 382.17 g/mol. IUPAC: N-[[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]cyclohexanecarboxamide.
Chemical Property Profile of BAS 00821711
Property Insights of BAS 00821711
The XLogP value of 4.1842 indicates that BAS 00821711 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, BAS 00821711 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00821711 has 1 hydrogen bond donor(s) and 3 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 00821711?
The CAS number of BAS 00821711 is 296791-00-9.
What is the molecular formula of BAS 00821711?
The molecular formula of BAS 00821711 is C22H26N2O2S.
What is the molecular weight of BAS 00821711?
The molecular weight of BAS 00821711 is 382.17 g/mol.
Where can I buy BAS 00821711?
You can request a quote for BAS 00821711 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00821711?
Yes, KEHONG BIO provides custom synthesis services for BAS 00821711 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.