BAS 13558338
TL;DR: BAS 13558338 (CAS 878440-35-8) is a chemical compound with molecular formula C21H20N4OS and molecular weight 376.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,6-dimethylquinazolin-2-yl)sulfanyl-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
Also Known As: BAS 13558338, 2-[(4,6-dimethylquinazolin-2-yl)sulfanyl]-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone, BRD-A44688650-001-01-8, 2-((4,6-dimethylquinazolin-2-yl)thio)-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone, 2-(4,6-dimethylquinazolin-2-yl)sulfanyl-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
| Molecular Formula | C21H20N4OS |
|---|---|
| Molecular Weight | 376.14 g/mol |
| LogP | 4.29814 |
| Topological Polar Surface Area | 58.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.13577 |
| Heavy Atoms | 27 |
| Complexity | 1019.3703 |
Chemical Identifiers
| CAS Number | 878440-35-8 |
|---|---|
| SMILES | CC1=CC2=C(N=C(N=C2C=C1)SCC(=O)N3C(CC=N3)C4=CC=CC=C4)C |
Product Overview
BAS 13558338 (CAS 878440-35-8), with molecular formula C21H20N4OS and molecular weight 376.14 g/mol. IUPAC: 2-(4,6-dimethylquinazolin-2-yl)sulfanyl-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone.
Chemical Property Profile of BAS 13558338
Property Insights of BAS 13558338
The XLogP value of 4.29814 indicates that BAS 13558338 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.45 Ų, BAS 13558338 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 13558338 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 13558338?
The CAS number of BAS 13558338 is 878440-35-8.
What is the molecular formula of BAS 13558338?
The molecular formula of BAS 13558338 is C21H20N4OS.
What is the molecular weight of BAS 13558338?
The molecular weight of BAS 13558338 is 376.14 g/mol.
Where can I buy BAS 13558338?
You can request a quote for BAS 13558338 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13558338?
Yes, KEHONG BIO provides custom synthesis services for BAS 13558338 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.