RefChem:235882
TL;DR: RefChem:235882 (CAS 78807-69-9) is a chemical compound with molecular formula C31H27N3O3S and molecular weight 521.18 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-phenyl-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-phenyl-1H-pyrazol-1-yl)acetyl)-, 2-[3-(3-ethoxy-4-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone, 10-((5-(3-ETHOXY-4-HYDROXYPHENYL)-4,5-DIHYDRO-3-PHENYL-1H-PYRAZOL-1-YL)ACETYL)-10H-PHENOTHIAZINE, 2-[5-(3-ETHOXY-4-HYDROXYPHENYL)-3-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-1-(10H-PHENOTHIAZIN-10-YL)ETHAN-1-ONE
| Molecular Formula | C31H27N3O3S |
|---|---|
| Molecular Weight | 521.18 g/mol |
| LogP | 6.7715 |
| Topological Polar Surface Area | 65.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 521.1773 |
| Heavy Atoms | 38 |
| Complexity | 1476.5643 |
Chemical Identifiers
| CAS Number | 78807-69-9 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2CC(=NN2CC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=CC=C6)O |
Product Overview
RefChem:235882 (CAS 78807-69-9), with molecular formula C31H27N3O3S and molecular weight 521.18 g/mol. IUPAC: 2-[3-(3-ethoxy-4-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone.
Chemical Property Profile of RefChem:235882
Property Insights of RefChem:235882
The XLogP value of 6.7715 indicates that RefChem:235882 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.37 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:235882. Following Lipinski's Rule of Five, RefChem:235882 has 1 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:235882?
The CAS number of RefChem:235882 is 78807-69-9.
What is the molecular formula of RefChem:235882?
The molecular formula of RefChem:235882 is C31H27N3O3S.
What is the molecular weight of RefChem:235882?
The molecular weight of RefChem:235882 is 521.18 g/mol.
Where can I buy RefChem:235882?
You can request a quote for RefChem:235882 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:235882?
Yes, KEHONG BIO provides custom synthesis services for RefChem:235882 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.