10-((4,5-Dihydro-3,5-bis(4-nitrophenyl)-1H-pyrazol-1-yl)acetyl)-10H-phenothiazine
TL;DR: 10-((4,5-Dihydro-3,5-bis(4-nitrophenyl)-1H-pyrazol-1-yl)acetyl)-10H-phenothiazine (CAS 78807-71-3) is a chemical compound with molecular formula C29H21N5O5S and molecular weight 551.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3,5-bis(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone
Also Known As: 10-((4,5-Dihydro-3,5-bis(4-nitrophenyl)-1H-pyrazol-1-yl)acetyl)-10H-phenothiazine, 10H-Phenothiazine, 10-((4,5-dihydro-3,5-bis(4-nitrophenyl)-1H-pyrazol-1-yl)acetyl)-, 2-[3,5-bis(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone, 2-[3,5-bis(4-nitrophenyl)-4,5-dihydropyrazol-1-yl]-1-phenothiazin-10-ylethanone, 2-[3,5-Bis(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1-(10H-phenothiazin-10-yl)ethan-1-one
| Molecular Formula | C29H21N5O5S |
|---|---|
| Molecular Weight | 551.13 g/mol |
| LogP | 6.4836 |
| Topological Polar Surface Area | 122.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 551.12634 |
| Heavy Atoms | 40 |
| Complexity | 1627.7428 |
Chemical Identifiers
| CAS Number | 78807-71-3 |
|---|---|
| SMILES | C1C(N(N=C1C2=CC=C(C=C2)[N+](=O)[O-])CC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=C(C=C6)[N+](=O)[O-] |
Product Overview
10-((4,5-Dihydro-3,5-bis(4-nitrophenyl)-1H-pyrazol-1-yl)acetyl)-10H-phenothiazine (CAS 78807-71-3), with molecular formula C29H21N5O5S and molecular weight 551.13 g/mol. IUPAC: 2-[3,5-bis(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone.
Chemical Property Profile of 10-((4,5-Dihydro-3,5-bis(4-nitrophenyl)-1H-pyrazol-1-yl)acetyl)-10H-phenothiazine
Property Insights of 10-((4,5-Dihydro-3,5-bis(4-nitrophenyl)-1H-pyrazol-1-yl)acetyl)-10H-phenothiazine
The XLogP value of 6.4836 indicates that 10-((4,5-Dihydro-3,5-bis(4-nitrophenyl)-1H-pyrazol-1-yl)acetyl)-10H-phenothiazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 10-((4,5-Dihydro-3,5-bis(4-nitrophenyl)-1H-pyrazol-1-yl)acetyl)-10H-phenothiazine. Following Lipinski's Rule of Five, 10-((4,5-Dihydro-3,5-bis(4-nitrophenyl)-1H-pyrazol-1-yl)acetyl)-10H-phenothiazine has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 10-((4,5-Dihydro-3,5-bis(4-nitrophenyl)-1H-pyrazol-1-yl)acetyl)-10H-phenothiazine?
The CAS number of 10-((4,5-Dihydro-3,5-bis(4-nitrophenyl)-1H-pyrazol-1-yl)acetyl)-10H-phenothiazine is 78807-71-3.
What is the molecular formula of 10-((4,5-Dihydro-3,5-bis(4-nitrophenyl)-1H-pyrazol-1-yl)acetyl)-10H-phenothiazine?
The molecular formula of 10-((4,5-Dihydro-3,5-bis(4-nitrophenyl)-1H-pyrazol-1-yl)acetyl)-10H-phenothiazine is C29H21N5O5S.
What is the molecular weight of 10-((4,5-Dihydro-3,5-bis(4-nitrophenyl)-1H-pyrazol-1-yl)acetyl)-10H-phenothiazine?
The molecular weight of 10-((4,5-Dihydro-3,5-bis(4-nitrophenyl)-1H-pyrazol-1-yl)acetyl)-10H-phenothiazine is 551.13 g/mol.
Where can I buy 10-((4,5-Dihydro-3,5-bis(4-nitrophenyl)-1H-pyrazol-1-yl)acetyl)-10H-phenothiazine?
You can request a quote for 10-((4,5-Dihydro-3,5-bis(4-nitrophenyl)-1H-pyrazol-1-yl)acetyl)-10H-phenothiazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-((4,5-Dihydro-3,5-bis(4-nitrophenyl)-1H-pyrazol-1-yl)acetyl)-10H-phenothiazine?
Yes, KEHONG BIO provides custom synthesis services for 10-((4,5-Dihydro-3,5-bis(4-nitrophenyl)-1H-pyrazol-1-yl)acetyl)-10H-phenothiazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.