RefChem:235881
TL;DR: RefChem:235881 (CAS 78807-73-5) is a chemical compound with molecular formula C31H26N4O5S and molecular weight 566.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(3-ethoxy-4-hydroxyphenyl)-5-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone
Also Known As: 2,3-Butanediol,1,4-dibromo-1,1,4,4-tetranitro, 10H-Phenothiazine, 10-((5-(3-ethoxy-4-hydroxyphenyl)-4,5-dihydro-3-(4-nitrophenyl)-1H-pyrazol-1-yl)acetyl)-, 2-[3-(3-ethoxy-4-hydroxyphenyl)-5-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone, 10-((5-(3-ETHOXY-4-HYDROXYPHENYL)-4,5-DIHYDRO-3-(4-NITROPHENYL)-1H-PYRAZOL-1-YL)ACETYL)-10H-PHENOTHIAZINE, 2-[5-(3-ETHOXY-4-HYDROXYPHENYL)-3-(4-NITROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-1-(10H-PHENOTHIAZIN-10-YL)ETHAN-1-ONE
| Molecular Formula | C31H26N4O5S |
|---|---|
| Molecular Weight | 566.16 g/mol |
| LogP | 6.6797 |
| Topological Polar Surface Area | 108.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 566.1624 |
| Heavy Atoms | 41 |
| Complexity | 1628.126 |
Chemical Identifiers
| CAS Number | 78807-73-5 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2CC(=NN2CC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=C(C=C6)[N+](=O)[O-])O |
Product Overview
RefChem:235881 (CAS 78807-73-5), with molecular formula C31H26N4O5S and molecular weight 566.16 g/mol. IUPAC: 2-[3-(3-ethoxy-4-hydroxyphenyl)-5-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone.
Chemical Property Profile of RefChem:235881
Property Insights of RefChem:235881
The XLogP value of 6.6797 indicates that RefChem:235881 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.51 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:235881. Following Lipinski's Rule of Five, RefChem:235881 has 1 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 RefChem:235881?
The CAS number of RefChem:235881 is 78807-73-5.
What is the molecular formula of RefChem:235881?
The molecular formula of RefChem:235881 is C31H26N4O5S.
What is the molecular weight of RefChem:235881?
The molecular weight of RefChem:235881 is 566.16 g/mol.
Where can I buy RefChem:235881?
You can request a quote for RefChem:235881 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:235881?
Yes, KEHONG BIO provides custom synthesis services for RefChem:235881 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.