IFLab1_005421
TL;DR: IFLab1_005421 (CAS 540499-68-1) is a chemical compound with molecular formula C17H15N5OS2 and molecular weight 369.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenothiazin-10-ylethanone
Also Known As: IFLab1_005421, IDI1_010824, 2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(10H-phenothiazin-10-yl)ethanone, AN-698/41886224, 2-((4-amino-5-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(10H-phenothiazin-10-yl)ethanone
| Molecular Formula | C17H15N5OS2 |
|---|---|
| Molecular Weight | 369.07 g/mol |
| LogP | 3.22192 |
| Topological Polar Surface Area | 77.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 369.0718 |
| Heavy Atoms | 25 |
| Complexity | 910.2162 |
Chemical Identifiers
| CAS Number | 540499-68-1 |
|---|---|
| SMILES | CC1=NN=C(N1N)SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42 |
Product Overview
IFLab1_005421 (CAS 540499-68-1), with molecular formula C17H15N5OS2 and molecular weight 369.07 g/mol. IUPAC: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenothiazin-10-ylethanone.
Chemical Property Profile of IFLab1_005421
Property Insights of IFLab1_005421
The XLogP value of 3.22192 indicates that IFLab1_005421 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.04 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005421. Following Lipinski's Rule of Five, IFLab1_005421 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of IFLab1_005421?
The CAS number of IFLab1_005421 is 540499-68-1.
What is the molecular formula of IFLab1_005421?
The molecular formula of IFLab1_005421 is C17H15N5OS2.
What is the molecular weight of IFLab1_005421?
The molecular weight of IFLab1_005421 is 369.07 g/mol.
Where can I buy IFLab1_005421?
You can request a quote for IFLab1_005421 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005421?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005421 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.