RefChem:235874
TL;DR: RefChem:235874 (CAS 78807-70-2) is a chemical compound with molecular formula C29H21N5O5S and molecular weight 551.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(2-nitrophenyl)-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-((4,5-dihydro-5-(2-nitrophenyl)-3-(4-nitrophenyl)-1H-pyrazol-1-yl)acetyl)-, 2-[3-(2-nitrophenyl)-5-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone, 10-((4,5-DIHYDRO-5-(2-NITROPHENYL)-3-(4-NITROPHENYL)-1H-PYRAZOL-1-YL)ACETYL)- 10H-PHENOTHIAZINE, 2-[5-(2-NITROPHENYL)-3-(4-NITROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-1-(10H-PHENOTHIAZIN-10-YL)ETHAN-1-ONE
| Molecular Formula | C29H21N5O5S |
|---|---|
| Molecular Weight | 551.13 g/mol |
| LogP | 6.4836 |
| Topological Polar Surface Area | 122.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 551.12634 |
| Heavy Atoms | 40 |
| Complexity | 1644.9928 |
Chemical Identifiers
| CAS Number | 78807-70-2 |
|---|---|
| SMILES | C1C(N(N=C1C2=CC=C(C=C2)[N+](=O)[O-])CC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=CC=C6[N+](=O)[O-] |
Product Overview
RefChem:235874 (CAS 78807-70-2), with molecular formula C29H21N5O5S and molecular weight 551.13 g/mol. IUPAC: 2-[3-(2-nitrophenyl)-5-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-1-phenothiazin-10-ylethanone.
Chemical Property Profile of RefChem:235874
Property Insights of RefChem:235874
The XLogP value of 6.4836 indicates that RefChem:235874 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.19 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:235874. Following Lipinski's Rule of Five, RefChem:235874 has 0 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:235874?
The CAS number of RefChem:235874 is 78807-70-2.
What is the molecular formula of RefChem:235874?
The molecular formula of RefChem:235874 is C29H21N5O5S.
What is the molecular weight of RefChem:235874?
The molecular weight of RefChem:235874 is 551.13 g/mol.
Where can I buy RefChem:235874?
You can request a quote for RefChem:235874 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:235874?
Yes, KEHONG BIO provides custom synthesis services for RefChem:235874 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.