BAS 04207982
TL;DR: BAS 04207982 (CAS 459801-95-7) is a chemical compound with molecular formula C25H22N4O2S2 and molecular weight 474.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-ylethanone
Also Known As: BAS 04207982, 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-ylethanone, 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(10H-phenothiazin-10-yl)ethanone
| Molecular Formula | C25H22N4O2S2 |
|---|---|
| Molecular Weight | 474.12 g/mol |
| LogP | 5.8952 |
| Topological Polar Surface Area | 60.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.1184 |
| Heavy Atoms | 33 |
| Complexity | 1258.5221 |
Chemical Identifiers
| CAS Number | 459801-95-7 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C5=CC=C(C=C5)OC |
Product Overview
BAS 04207982 (CAS 459801-95-7), with molecular formula C25H22N4O2S2 and molecular weight 474.12 g/mol. IUPAC: 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-ylethanone.
Chemical Property Profile of BAS 04207982
Property Insights of BAS 04207982
The XLogP value of 5.8952 indicates that BAS 04207982 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.25 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04207982. Following Lipinski's Rule of Five, BAS 04207982 has 0 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 BAS 04207982?
The CAS number of BAS 04207982 is 459801-95-7.
What is the molecular formula of BAS 04207982?
The molecular formula of BAS 04207982 is C25H22N4O2S2.
What is the molecular weight of BAS 04207982?
The molecular weight of BAS 04207982 is 474.12 g/mol.
Where can I buy BAS 04207982?
You can request a quote for BAS 04207982 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04207982?
Yes, KEHONG BIO provides custom synthesis services for BAS 04207982 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.