IFLab1_005377
TL;DR: IFLab1_005377 (CAS 540498-91-7) is a chemical compound with molecular formula C16H20ClN5OS and molecular weight 365.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide
Also Known As: IFLab1_005377, IDI1_010780, 2-{[4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-cyclohexylacetamide, 2-((4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-cyclohexylacetamide, 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide
| Molecular Formula | C16H20ClN5OS |
|---|---|
| Molecular Weight | 365.11 g/mol |
| LogP | 2.8533 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 365.1077 |
| Heavy Atoms | 24 |
| Complexity | 696.99335 |
Chemical Identifiers
| CAS Number | 540498-91-7 |
|---|---|
| SMILES | C1CCC(CC1)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)Cl |
Product Overview
IFLab1_005377 (CAS 540498-91-7), with molecular formula C16H20ClN5OS and molecular weight 365.11 g/mol. IUPAC: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide.
Chemical Property Profile of IFLab1_005377
Property Insights of IFLab1_005377
The XLogP value of 2.8533 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_005377. The TPSA of 85.83 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005377. Following Lipinski's Rule of Five, IFLab1_005377 has 2 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_005377?
The CAS number of IFLab1_005377 is 540498-91-7.
What is the molecular formula of IFLab1_005377?
The molecular formula of IFLab1_005377 is C16H20ClN5OS.
What is the molecular weight of IFLab1_005377?
The molecular weight of IFLab1_005377 is 365.11 g/mol.
Where can I buy IFLab1_005377?
You can request a quote for IFLab1_005377 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005377?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005377 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.