IFLab1_001444
TL;DR: IFLab1_001444 (CAS 392291-38-2) is a chemical compound with molecular formula C16H14N4O2S3 and molecular weight 390.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
Also Known As: IFLab1_001444, F0417-0107, N-(5-((2-oxo-2-(p-tolylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide, N-[5-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide, N-[5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
| Molecular Formula | C16H14N4O2S3 |
|---|---|
| Molecular Weight | 390.03 g/mol |
| LogP | 3.89112 |
| Topological Polar Surface Area | 83.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.0279 |
| Heavy Atoms | 25 |
| Complexity | 859.9044 |
Chemical Identifiers
| CAS Number | 392291-38-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=CS3 |
Product Overview
IFLab1_001444 (CAS 392291-38-2), with molecular formula C16H14N4O2S3 and molecular weight 390.03 g/mol. IUPAC: N-[5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide.
Chemical Property Profile of IFLab1_001444
Property Insights of IFLab1_001444
The XLogP value of 3.89112 indicates that IFLab1_001444 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.98 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_001444. Following Lipinski's Rule of Five, IFLab1_001444 has 2 hydrogen bond donor(s) and 7 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_001444?
The CAS number of IFLab1_001444 is 392291-38-2.
What is the molecular formula of IFLab1_001444?
The molecular formula of IFLab1_001444 is C16H14N4O2S3.
What is the molecular weight of IFLab1_001444?
The molecular weight of IFLab1_001444 is 390.03 g/mol.
Where can I buy IFLab1_001444?
You can request a quote for IFLab1_001444 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_001444?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_001444 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.