BIM-0037630.P001
TL;DR: BIM-0037630.P001 (CAS 294652-92-9) is a chemical compound with molecular formula C26H25FN4OS and molecular weight 460.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-propan-2-ylphenyl)methyl]acetamide
Also Known As: BIM-0037630.P001, A2660/0113404, 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-propan-2-ylphenyl)methyl]acetamide, 2-((5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-isopropylbenzyl)acetamide, 2-[5-(3-fluorophenyl)-4-phenyl(1,2,4-triazol-3-ylthio)]-N-{[4-(methylethyl)phe nyl]methyl}acetamide
| Molecular Formula | C26H25FN4OS |
|---|---|
| Molecular Weight | 460.17 g/mol |
| LogP | 5.6053 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 460.1733 |
| Heavy Atoms | 33 |
| Complexity | 1222.7927 |
Chemical Identifiers
| CAS Number | 294652-92-9 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)F |
Product Overview
BIM-0037630.P001 (CAS 294652-92-9), with molecular formula C26H25FN4OS and molecular weight 460.17 g/mol. IUPAC: 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-propan-2-ylphenyl)methyl]acetamide.
Chemical Property Profile of BIM-0037630.P001
Property Insights of BIM-0037630.P001
The XLogP value of 5.6053 indicates that BIM-0037630.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, BIM-0037630.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0037630.P001 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BIM-0037630.P001?
The CAS number of BIM-0037630.P001 is 294652-92-9.
What is the molecular formula of BIM-0037630.P001?
The molecular formula of BIM-0037630.P001 is C26H25FN4OS.
What is the molecular weight of BIM-0037630.P001?
The molecular weight of BIM-0037630.P001 is 460.17 g/mol.
Where can I buy BIM-0037630.P001?
You can request a quote for BIM-0037630.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0037630.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0037630.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.