RefChem:235876
TL;DR: RefChem:235876 (CAS 78807-67-7) is a chemical compound with molecular formula C29H22N4O3S and molecular weight 506.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone
Also Known As: 10-((4,5-Dihydro-5-(4-nitrophenyl)-3-phenyl-1H-pyrazol-1-yl)acetyl)-10H-phenothiazine, 10H-Phenothiazine, 10-((4,5-dihydro-5-(4-nitrophenyl)-3-phenyl-1H-pyrazol-1-yl)acetyl)-, 2-[3-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone, 2-(5-(4-Nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-1-(10H-phenothiazin-10-yl)ethanone, 2-[5-(4-nitrophenyl)-3-phenyl-4,5-dihydropyrazol-1-yl]-1-phenothiazin-10-ylethanone
| Molecular Formula | C29H22N4O3S |
|---|---|
| Molecular Weight | 506.14 g/mol |
| LogP | 6.5754 |
| Topological Polar Surface Area | 79.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 506.14127 |
| Heavy Atoms | 37 |
| Complexity | 1476.4402 |
Chemical Identifiers
| CAS Number | 78807-67-7 |
|---|---|
| SMILES | C1C(N(N=C1C2=CC=CC=C2)CC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=C(C=C6)[N+](=O)[O-] |
Product Overview
RefChem:235876 (CAS 78807-67-7), with molecular formula C29H22N4O3S and molecular weight 506.14 g/mol. IUPAC: 2-[3-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone.
Chemical Property Profile of RefChem:235876
Property Insights of RefChem:235876
The XLogP value of 6.5754 indicates that RefChem:235876 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.05 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:235876. Following Lipinski's Rule of Five, RefChem:235876 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 RefChem:235876?
The CAS number of RefChem:235876 is 78807-67-7.
What is the molecular formula of RefChem:235876?
The molecular formula of RefChem:235876 is C29H22N4O3S.
What is the molecular weight of RefChem:235876?
The molecular weight of RefChem:235876 is 506.14 g/mol.
Where can I buy RefChem:235876?
You can request a quote for RefChem:235876 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:235876?
Yes, KEHONG BIO provides custom synthesis services for RefChem:235876 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.