starbld0004802
TL;DR: starbld0004802 (CAS 853592-85-5) is a chemical compound with molecular formula C25H26FN5OS and molecular weight 463.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclohexyl)propanamide
Also Known As: starbld0004802, 2-{[4-benzyl-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyanocyclohexyl)propanamide, 2-((4-Benzyl-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(1-cyanocyclohexyl)propanamide, 2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclohexyl)propanamide
| Molecular Formula | C25H26FN5OS |
|---|---|
| Molecular Weight | 463.18 g/mol |
| LogP | 4.95578 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 463.1842 |
| Heavy Atoms | 33 |
| Complexity | 1151.104 |
Chemical Identifiers
| CAS Number | 853592-85-5 |
|---|---|
| SMILES | CC(C(=O)NC1(CCCCC1)C#N)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4F |
Product Overview
starbld0004802 (CAS 853592-85-5), with molecular formula C25H26FN5OS and molecular weight 463.18 g/mol. IUPAC: 2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclohexyl)propanamide.
Chemical Property Profile of starbld0004802
Property Insights of starbld0004802
The XLogP value of 4.95578 indicates that starbld0004802 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for starbld0004802. Following Lipinski's Rule of Five, starbld0004802 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 starbld0004802?
The CAS number of starbld0004802 is 853592-85-5.
What is the molecular formula of starbld0004802?
The molecular formula of starbld0004802 is C25H26FN5OS.
What is the molecular weight of starbld0004802?
The molecular weight of starbld0004802 is 463.18 g/mol.
Where can I buy starbld0004802?
You can request a quote for starbld0004802 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for starbld0004802?
Yes, KEHONG BIO provides custom synthesis services for starbld0004802 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.