BAS 07548945
TL;DR: BAS 07548945 (CAS 524060-64-8) is a chemical compound with molecular formula C21H23ClN2O3S and molecular weight 418.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
Also Known As: BAS 07548945, [1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone, AT-057/42478224, 2-({1-[(4-chlorophenyl)sulfonyl]-3-piperidinyl}carbonyl)-1,2,3,4-tetrahydroisoquinoline, (1-((4-chlorophenyl)sulfonyl)piperidin-3-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone
| Molecular Formula | C21H23ClN2O3S |
|---|---|
| Molecular Weight | 418.11 g/mol |
| LogP | 3.3256 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.1118 |
| Heavy Atoms | 28 |
| Complexity | 975.40015 |
Chemical Identifiers
| CAS Number | 524060-64-8 |
|---|---|
| SMILES | C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)N3CCC4=CC=CC=C4C3 |
Product Overview
BAS 07548945 (CAS 524060-64-8), with molecular formula C21H23ClN2O3S and molecular weight 418.11 g/mol. IUPAC: [1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
Chemical Property Profile of BAS 07548945
Property Insights of BAS 07548945
The XLogP value of 3.3256 indicates that BAS 07548945 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.69 Ų, BAS 07548945 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 07548945 has 0 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 07548945?
The CAS number of BAS 07548945 is 524060-64-8.
What is the molecular formula of BAS 07548945?
The molecular formula of BAS 07548945 is C21H23ClN2O3S.
What is the molecular weight of BAS 07548945?
The molecular weight of BAS 07548945 is 418.11 g/mol.
Where can I buy BAS 07548945?
You can request a quote for BAS 07548945 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07548945?
Yes, KEHONG BIO provides custom synthesis services for BAS 07548945 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.