C28H28ClN5O3S
TL;DR: C28H28ClN5O3S (CAS 1008881-43-3) is a chemical compound with molecular formula C28H28ClN5O3S and molecular weight 549.16016 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(5Z)-5-[[3-(3-chloro-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide
Also Known As: (Z)-1-(5-((3-(3-chloro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-4,5-dihydrothiazol-2-yl)piperidine-4-carboxamide, 1-[(5Z)-5-[[3-(3-chloro-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxamide, 1-[(5Z)-5-{[3-(3-chloro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxamide, C28H28ClN5O3S
Technical Specifications
| Molecular Formula | C28H28ClN5O3S |
| Molecular Weight | 549.16016 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 128.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 549.16016 Da |
| Heavy Atoms | 38 |
| Complexity | 918.0 |
| SMILES | CCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N=C(S3)N4CCC(CC4)C(=O)N)C5=CC=CC=C5)Cl |
| InChIKey | PEARVSQXLUPGCY-JLPGSUDCSA-N |
Chemical Property Profile of C28H28ClN5O3S
Property Insights of C28H28ClN5O3S
The XLogP value of 4.9 indicates that C28H28ClN5O3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C28H28ClN5O3S. Following Lipinski's Rule of Five, C28H28ClN5O3S has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C28H28ClN5O3S?
The CAS number of C28H28ClN5O3S is 1008881-43-3.
What is the molecular formula of C28H28ClN5O3S?
The molecular formula of C28H28ClN5O3S is C28H28ClN5O3S.
What is the molecular weight of C28H28ClN5O3S?
The molecular weight of C28H28ClN5O3S is 549.16016 g/mol.
Where can I buy C28H28ClN5O3S?
You can request a quote for C28H28ClN5O3S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C28H28ClN5O3S?
Yes, CoreyChem provides custom synthesis services for C28H28ClN5O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.