C19H15BrN2OS
TL;DR: C19H15BrN2OS (CAS 585555-07-3) is a chemical compound with molecular formula C19H15BrN2OS and molecular weight 398.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(4-bromophenyl)methylidene]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-4-one
Also Known As: (5Z)-5-(4-bromobenzylidene)-2-(3,4-dihydroisoquinolin-2(1H)-yl)-1,3-thiazol-4(5H)-one, (Z)-5-(4-bromobenzylidene)-2-(3,4-dihydroisoquinolin-2(1H)-yl)thiazol-4(5H)-one, (5Z)-5-[(4-bromophenyl)methylidene]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-4-one
| Molecular Formula | C19H15BrN2OS |
|---|---|
| Molecular Weight | 398.01 g/mol |
| LogP | 4.4777 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 398.00885 |
| Heavy Atoms | 24 |
| Complexity | 857.9254 |
Chemical Identifiers
| CAS Number | 585555-07-3 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C3=NC(=O)/C(=C/C4=CC=C(C=C4)Br)/S3 |
Product Overview
C19H15BrN2OS (CAS 585555-07-3), with molecular formula C19H15BrN2OS and molecular weight 398.01 g/mol. IUPAC: (5Z)-5-[(4-bromophenyl)methylidene]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-4-one.
Chemical Property Profile of C19H15BrN2OS
Property Insights of C19H15BrN2OS
The XLogP value of 4.4777 indicates that C19H15BrN2OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.67 Ų, C19H15BrN2OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C19H15BrN2OS 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 C19H15BrN2OS?
The CAS number of C19H15BrN2OS is 585555-07-3.
What is the molecular formula of C19H15BrN2OS?
The molecular formula of C19H15BrN2OS is C19H15BrN2OS.
What is the molecular weight of C19H15BrN2OS?
The molecular weight of C19H15BrN2OS is 398.01 g/mol.
Where can I buy C19H15BrN2OS?
You can request a quote for C19H15BrN2OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H15BrN2OS?
Yes, KEHONG BIO provides custom synthesis services for C19H15BrN2OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.