A1827/0077120
TL;DR: A1827/0077120 (CAS 398472-26-9) is a chemical compound with molecular formula C28H26N4O2S and molecular weight 482.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dimethylphenyl)-2-[5-(2,5-dimethylphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
Also Known As: A1827/0077120, 4-(3,4-dimethylphenyl)-2-[3-(2,5-dimethylphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazole, 4-(3,4-dimethylphenyl)-2-[5-(2,5-dimethylphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole, 4-(3,4-dimethylphenyl)-2-(3-(2,5-dimethylphenyl)-5-{3-nitrophenyl}-4,5-dihydro-1H-pyrazol-1-yl)-1,3-thiazole
| Molecular Formula | C28H26N4O2S |
|---|---|
| Molecular Weight | 482.18 g/mol |
| LogP | 7.30768 |
| Topological Polar Surface Area | 71.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 482.17764 |
| Heavy Atoms | 35 |
| Complexity | 1473.5712 |
Chemical Identifiers
| CAS Number | 398472-26-9 |
|---|---|
| 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)C)C |
Product Overview
A1827/0077120 (CAS 398472-26-9), with molecular formula C28H26N4O2S and molecular weight 482.18 g/mol. IUPAC: 4-(3,4-dimethylphenyl)-2-[5-(2,5-dimethylphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole.
Chemical Property Profile of A1827/0077120
Property Insights of A1827/0077120
The XLogP value of 7.30768 indicates that A1827/0077120 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 A1827/0077120. Following Lipinski's Rule of Five, A1827/0077120 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 A1827/0077120?
The CAS number of A1827/0077120 is 398472-26-9.
What is the molecular formula of A1827/0077120?
The molecular formula of A1827/0077120 is C28H26N4O2S.
What is the molecular weight of A1827/0077120?
The molecular weight of A1827/0077120 is 482.18 g/mol.
Where can I buy A1827/0077120?
You can request a quote for A1827/0077120 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1827/0077120?
Yes, KEHONG BIO provides custom synthesis services for A1827/0077120 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.