RefChem:235866
TL;DR: RefChem:235866 (CAS 78807-76-8) is a chemical compound with molecular formula C29H21ClN4O3S and molecular weight 540.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(4-chlorophenyl)-3-(2-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone
Also Known As: 10H-Phenothiazine, 10-((3-(4-chlorophenyl)-4,5-dihydro-5-(2-nitrophenyl)-1H-pyrazol-1-yl)acetyl)-, 2-[5-(4-chlorophenyl)-3-(2-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone, 10-((3-(4-CHLOROPHENYL)-4,5-DIHYDRO-5-(2-NITROPHENYL)-1H-PYRAZOL-1-YL)ACETYL)- 10H-PHENOTHIAZINE, 2-[3-(4-Chlorophenyl)-5-(2-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1-(10H-phenothiazin-10-yl)ethan-1-one, 2-[3-(4-chlorophenyl)-5-(2-nitrophenyl)-4,5-dihydropyrazol-1-yl]-1-phenothiazin-10-ylethanone
| Molecular Formula | C29H21ClN4O3S |
|---|---|
| Molecular Weight | 540.10 g/mol |
| LogP | 7.2288 |
| Topological Polar Surface Area | 79.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 540.1023 |
| Heavy Atoms | 38 |
| Complexity | 1545.5219 |
Chemical Identifiers
| CAS Number | 78807-76-8 |
|---|---|
| SMILES | C1C(N(N=C1C2=CC=C(C=C2)Cl)CC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=CC=C6[N+](=O)[O-] |
Product Overview
RefChem:235866 (CAS 78807-76-8), with molecular formula C29H21ClN4O3S and molecular weight 540.10 g/mol. IUPAC: 2-[5-(4-chlorophenyl)-3-(2-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone.
Chemical Property Profile of RefChem:235866
Property Insights of RefChem:235866
The XLogP value of 7.2288 indicates that RefChem:235866 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:235866. Following Lipinski's Rule of Five, RefChem:235866 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:235866?
The CAS number of RefChem:235866 is 78807-76-8.
What is the molecular formula of RefChem:235866?
The molecular formula of RefChem:235866 is C29H21ClN4O3S.
What is the molecular weight of RefChem:235866?
The molecular weight of RefChem:235866 is 540.10 g/mol.
Where can I buy RefChem:235866?
You can request a quote for RefChem:235866 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:235866?
Yes, KEHONG BIO provides custom synthesis services for RefChem:235866 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.