A1154/0053993
TL;DR: A1154/0053993 (CAS 340693-86-9) is a chemical compound with molecular formula C26H21ClN4O2S and molecular weight 488.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-2-[5-(2,5-dimethylphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
Also Known As: A1154/0053993, 4-(4-chlorophenyl)-2-[3-(2,5-dimethylphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazole, 4-(4-chlorophenyl)-2-[5-(2,5-dimethylphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole, 4-(4-chlorophenyl)-2-(3-(2,5-dimethylphenyl)-5-{3-nitrophenyl}-4,5-dihydro-1H-pyrazol-1-yl)-1,3-thiazole
| Molecular Formula | C26H21ClN4O2S |
|---|---|
| Molecular Weight | 488.11 g/mol |
| LogP | 7.34424 |
| Topological Polar Surface Area | 71.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 488.10736 |
| Heavy Atoms | 34 |
| Complexity | 1414.5852 |
Chemical Identifiers
| CAS Number | 340693-86-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)C2=NN(C(C2)C3=CC(=CC=C3)[N+](=O)[O-])C4=NC(=CS4)C5=CC=C(C=C5)Cl |
Product Overview
A1154/0053993 (CAS 340693-86-9), with molecular formula C26H21ClN4O2S and molecular weight 488.11 g/mol. IUPAC: 4-(4-chlorophenyl)-2-[5-(2,5-dimethylphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole.
Chemical Property Profile of A1154/0053993
Property Insights of A1154/0053993
The XLogP value of 7.34424 indicates that A1154/0053993 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.63 Ų falls within the moderate polarity range, balancing permeability and solubility for A1154/0053993. Following Lipinski's Rule of Five, A1154/0053993 has 0 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 A1154/0053993?
The CAS number of A1154/0053993 is 340693-86-9.
What is the molecular formula of A1154/0053993?
The molecular formula of A1154/0053993 is C26H21ClN4O2S.
What is the molecular weight of A1154/0053993?
The molecular weight of A1154/0053993 is 488.11 g/mol.
Where can I buy A1154/0053993?
You can request a quote for A1154/0053993 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1154/0053993?
Yes, KEHONG BIO provides custom synthesis services for A1154/0053993 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.