C23H16BrClN4O2S
TL;DR: C23H16BrClN4O2S (CAS 612829-18-2) is a chemical compound with molecular formula C23H16BrClN4O2S and molecular weight 525.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(3-bromophenyl)methylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Also Known As: (E)-N'-(3-bromobenzylidene)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide, N'-[(E)-(3-bromophenyl)methylidene]-2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetohydrazide, N-[(1E)-2-(3-bromophenyl)-1-azavinyl]-2-[3-(4-chlorophenyl)-4-oxo(3-hydroquina zolin-2-ylthio)]acetamide, N-[(3-bromophenyl)methylideneamino]-2-[3-(4-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide, N-[(E)-(3-bromophenyl)methylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
| Molecular Formula | C23H16BrClN4O2S |
|---|---|
| Molecular Weight | 525.99 g/mol |
| LogP | 5.044 |
| Topological Polar Surface Area | 76.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 525.9866 |
| Heavy Atoms | 32 |
| Complexity | 1372.795 |
Chemical Identifiers
| CAS Number | 612829-18-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)N/N=C/C3=CC(=CC=C3)Br)C4=CC=C(C=C4)Cl |
Product Overview
C23H16BrClN4O2S (CAS 612829-18-2), with molecular formula C23H16BrClN4O2S and molecular weight 525.99 g/mol. IUPAC: N-[(E)-(3-bromophenyl)methylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.
Chemical Property Profile of C23H16BrClN4O2S
Property Insights of C23H16BrClN4O2S
The XLogP value of 5.044 indicates that C23H16BrClN4O2S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.35 Ų falls within the moderate polarity range, balancing permeability and solubility for C23H16BrClN4O2S. Following Lipinski's Rule of Five, C23H16BrClN4O2S has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C23H16BrClN4O2S?
The CAS number of C23H16BrClN4O2S is 612829-18-2.
What is the molecular formula of C23H16BrClN4O2S?
The molecular formula of C23H16BrClN4O2S is C23H16BrClN4O2S.
What is the molecular weight of C23H16BrClN4O2S?
The molecular weight of C23H16BrClN4O2S is 525.99 g/mol.
Where can I buy C23H16BrClN4O2S?
You can request a quote for C23H16BrClN4O2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C23H16BrClN4O2S?
Yes, KEHONG BIO provides custom synthesis services for C23H16BrClN4O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.