IFLab1_000968
TL;DR: IFLab1_000968 (CAS 307341-06-6) is a chemical compound with molecular formula C18H15N5OS and molecular weight 349.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methyl-1H-indol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
Also Known As: IFLab1_000968, BAS 12814460, 1-(2-methyl-1H-indol-3-yl)-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethan-1-one, 1-(2-methyl-1H-indol-3-yl)-2-((1-phenyl-1H-tetrazol-5-yl)thio)ethanone, F0307-0337
| Molecular Formula | C18H15N5OS |
|---|---|
| Molecular Weight | 349.10 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.09973 |
| Heavy Atoms | 25 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 307341-06-6 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NN=NN3C4=CC=CC=C4 |
| InChIKey | GBPWNURKHKGYBD-UHFFFAOYSA-N |
Product Overview
IFLab1_000968 (CAS 307341-06-6), with molecular formula C18H15N5OS and molecular weight 349.10 g/mol. IUPAC: 1-(2-methyl-1H-indol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone.
Chemical Property Profile of IFLab1_000968
Property Insights of IFLab1_000968
The XLogP value of 4.0 indicates that IFLab1_000968 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_000968. Following Lipinski's Rule of Five, IFLab1_000968 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_000968?
The CAS number of IFLab1_000968 is 307341-06-6.
What is the molecular formula of IFLab1_000968?
The molecular formula of IFLab1_000968 is C18H15N5OS.
What is the molecular weight of IFLab1_000968?
The molecular weight of IFLab1_000968 is 349.10 g/mol.
Where can I buy IFLab1_000968?
You can request a quote for IFLab1_000968 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_000968?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_000968 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.