(E)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide
TL;DR: (E)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide (CAS 612829-90-0) is a chemical compound with molecular formula C26H21ClN4O3S and molecular weight 504.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]acetamide
Also Known As: (E)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide, 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]acetamide, 2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N'-[(1E,2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]acetohydrazide, N-[(1E,3E)-4-(2-methoxyphenyl)-1-azabuta-1,3-dienyl]-2-[3-(4-chlorophenyl)-4-o xo(3-hydroquinazolin-2-ylthio)]acetamide
| Molecular Formula | C26H21ClN4O3S |
|---|---|
| Molecular Weight | 504.10 g/mol |
| LogP | 4.9552 |
| Topological Polar Surface Area | 85.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 504.1023 |
| Heavy Atoms | 35 |
| Complexity | 1465.9438 |
Chemical Identifiers
| CAS Number | 612829-90-0 |
|---|---|
| SMILES | COC1=CC=CC=C1/C=C/C=N/NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl |
Product Overview
(E)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide (CAS 612829-90-0), with molecular formula C26H21ClN4O3S and molecular weight 504.10 g/mol. IUPAC: 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]acetamide.
Chemical Property Profile of (E)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide
Property Insights of (E)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide
The XLogP value of 4.9552 indicates that (E)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.58 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide. Following Lipinski's Rule of Five, (E)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide?
The CAS number of (E)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide is 612829-90-0.
What is the molecular formula of (E)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide?
The molecular formula of (E)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide is C26H21ClN4O3S.
What is the molecular weight of (E)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide?
The molecular weight of (E)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide is 504.10 g/mol.
Where can I buy (E)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide?
You can request a quote for (E)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.