IFLab1_005384
TL;DR: IFLab1_005384 (CAS 799792-20-4) is a chemical compound with molecular formula C16H16N4O2S2 and molecular weight 360.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,2-dihydroacenaphthylen-1-yl]methanesulfonamide
Also Known As: IFLab1_005384, IFLab2_000167, IDI1_010787, IDI1_019193, N-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1,2-dihydroacenaphthylen-1-yl)methanesulfonamide
| Molecular Formula | C16H16N4O2S2 |
|---|---|
| Molecular Weight | 360.07 g/mol |
| LogP | 2.4056 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.07147 |
| Heavy Atoms | 24 |
| Complexity | 1024.2384 |
Chemical Identifiers
| CAS Number | 799792-20-4 |
|---|---|
| SMILES | CN1C=NN=C1SC2C(C3=CC=CC4=C3C2=CC=C4)NS(=O)(=O)C |
Product Overview
IFLab1_005384 (CAS 799792-20-4), with molecular formula C16H16N4O2S2 and molecular weight 360.07 g/mol. IUPAC: N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,2-dihydroacenaphthylen-1-yl]methanesulfonamide.
Chemical Property Profile of IFLab1_005384
Property Insights of IFLab1_005384
The XLogP value of 2.4056 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_005384. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005384. Following Lipinski's Rule of Five, IFLab1_005384 has 1 hydrogen bond donor(s) and 5 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_005384?
The CAS number of IFLab1_005384 is 799792-20-4.
What is the molecular formula of IFLab1_005384?
The molecular formula of IFLab1_005384 is C16H16N4O2S2.
What is the molecular weight of IFLab1_005384?
The molecular weight of IFLab1_005384 is 360.07 g/mol.
Where can I buy IFLab1_005384?
You can request a quote for IFLab1_005384 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005384?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005384 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.