RefChem:235879
TL;DR: RefChem:235879 (CAS 78807-68-8) is a chemical compound with molecular formula C29H21Cl2N3OS and molecular weight 529.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(3,4-dichlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone
Also Known As: 10-((5-(3,4-Dichlorophenyl)-4,5-dihydro-3-phenyl-1H-pyrazol-1-yl)acetyl)-10H-phenothiazine, 10H-Phenothiazine, 10-((5-(3,4-dichlorophenyl)-4,5-dihydro-3-phenyl-1H-pyrazol-1-yl)acetyl)-, 2-[3-(3,4-dichlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone, 2-[5-(3,4-dichlorophenyl)-3-phenyl-4,5-dihydropyrazol-1-yl]-1-phenothiazin-10-ylethanone, 2-[5-(3,4-DICHLOROPHENYL)-3-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-1-(10H-PHENOTHIAZIN-10-YL)ETHAN-1-ONE
| Molecular Formula | C29H21Cl2N3OS |
|---|---|
| Molecular Weight | 529.08 g/mol |
| LogP | 7.974 |
| Topological Polar Surface Area | 35.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 529.07825 |
| Heavy Atoms | 36 |
| Complexity | 1445.6117 |
Chemical Identifiers
| CAS Number | 78807-68-8 |
|---|---|
| SMILES | C1C(N(N=C1C2=CC=CC=C2)CC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC(=C(C=C6)Cl)Cl |
Product Overview
RefChem:235879 (CAS 78807-68-8), with molecular formula C29H21Cl2N3OS and molecular weight 529.08 g/mol. IUPAC: 2-[3-(3,4-dichlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone.
Chemical Property Profile of RefChem:235879
Property Insights of RefChem:235879
The XLogP value of 7.974 indicates that RefChem:235879 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.91 Ų, RefChem:235879 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:235879 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:235879?
The CAS number of RefChem:235879 is 78807-68-8.
What is the molecular formula of RefChem:235879?
The molecular formula of RefChem:235879 is C29H21Cl2N3OS.
What is the molecular weight of RefChem:235879?
The molecular weight of RefChem:235879 is 529.08 g/mol.
Where can I buy RefChem:235879?
You can request a quote for RefChem:235879 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:235879?
Yes, KEHONG BIO provides custom synthesis services for RefChem:235879 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.