RefChem:317067
TL;DR: RefChem:317067 (CAS 87236-40-6) is a chemical compound with molecular formula C28H20N6O3S and molecular weight 520.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxy-6-nitro-9-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acridine
Also Known As: Acridine, 2-ethoxy-6-nitro-9-((4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl)thio)-, 2-Ethoxy-6-nitro-9-((4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl)thio)acridine, 2-ethoxy-6-nitro-9-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acridine, 2-ethoxy-6-nitro-9-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acridine, BRN 5678966
| Molecular Formula | C28H20N6O3S |
|---|---|
| Molecular Weight | 520.13 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 520.1318 |
| Heavy Atoms | 38 |
| Complexity | 791.0 |
Chemical Identifiers
| CAS Number | 87236-40-6 |
|---|---|
| SMILES | CCOC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)SC4=NN=C(N4C5=CC=CC=C5)C6=CC=NC=C6 |
| InChIKey | IHKURLXEBIGAQG-UHFFFAOYSA-N |
Product Overview
RefChem:317067 (CAS 87236-40-6), with molecular formula C28H20N6O3S and molecular weight 520.13 g/mol. IUPAC: 2-ethoxy-6-nitro-9-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acridine.
Chemical Property Profile of RefChem:317067
Property Insights of RefChem:317067
The XLogP value of 5.9 indicates that RefChem:317067 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:317067. Following Lipinski's Rule of Five, RefChem:317067 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:317067?
The CAS number of RefChem:317067 is 87236-40-6.
What is the molecular formula of RefChem:317067?
The molecular formula of RefChem:317067 is C28H20N6O3S.
What is the molecular weight of RefChem:317067?
The molecular weight of RefChem:317067 is 520.13 g/mol.
Where can I buy RefChem:317067?
You can request a quote for RefChem:317067 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:317067?
Yes, KEHONG BIO provides custom synthesis services for RefChem:317067 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.