BAS 05590364
TL;DR: BAS 05590364 (CAS 522652-65-9) is a chemical compound with molecular formula C21H21N3O2S and molecular weight 379.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-methoxy-4-methylquinazolin-2-yl)sulfanylethanone
Also Known As: BAS 05590364, AJ-292/41686023, 2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]thio}-6-methoxy-4-methylquinazoline, 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-methoxy-4-methylquinazolin-2-yl)sulfanylethanone, 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-((6-methoxy-4-methylquinazolin-2-yl)thio)ethanone
| Molecular Formula | C21H21N3O2S |
|---|---|
| Molecular Weight | 379.14 g/mol |
| LogP | 3.62382 |
| Topological Polar Surface Area | 55.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.13544 |
| Heavy Atoms | 27 |
| Complexity | 1005.8833 |
Chemical Identifiers
| CAS Number | 522652-65-9 |
|---|---|
| SMILES | CC1=C2C=C(C=CC2=NC(=N1)SCC(=O)N3CCC4=CC=CC=C4C3)OC |
Product Overview
BAS 05590364 (CAS 522652-65-9), with molecular formula C21H21N3O2S and molecular weight 379.14 g/mol. IUPAC: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-methoxy-4-methylquinazolin-2-yl)sulfanylethanone.
Chemical Property Profile of BAS 05590364
Property Insights of BAS 05590364
The XLogP value of 3.62382 indicates that BAS 05590364 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.32 Ų, BAS 05590364 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 05590364 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 BAS 05590364?
The CAS number of BAS 05590364 is 522652-65-9.
What is the molecular formula of BAS 05590364?
The molecular formula of BAS 05590364 is C21H21N3O2S.
What is the molecular weight of BAS 05590364?
The molecular weight of BAS 05590364 is 379.14 g/mol.
Where can I buy BAS 05590364?
You can request a quote for BAS 05590364 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05590364?
Yes, KEHONG BIO provides custom synthesis services for BAS 05590364 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.