BAS 01940026
TL;DR: BAS 01940026 (CAS 99254-95-2) is a chemical compound with molecular formula C23H25IN4OS and molecular weight 532.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide
Also Known As: BAS 01940026, 2-((5-Cyclohexyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-iodo-2-methylphenyl)acetamide, 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide, 2-(5-cyclohexyl-4-phenyl(1,2,4-triazol-3-ylthio))-N-(4-iodo-2-methylphenyl)ace tamide, 2-(5-Cyclohexyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-iodo-2-methyl-phenyl)-acetamide
| Molecular Formula | C23H25IN4OS |
|---|---|
| Molecular Weight | 532.08 g/mol |
| LogP | 5.95882 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 532.0794 |
| Heavy Atoms | 30 |
| Complexity | 1015.2975 |
Chemical Identifiers
| CAS Number | 99254-95-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)I)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CCCCC4 |
Product Overview
BAS 01940026 (CAS 99254-95-2), with molecular formula C23H25IN4OS and molecular weight 532.08 g/mol. IUPAC: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide.
Chemical Property Profile of BAS 01940026
Property Insights of BAS 01940026
The XLogP value of 5.95882 indicates that BAS 01940026 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, BAS 01940026 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01940026 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 BAS 01940026?
The CAS number of BAS 01940026 is 99254-95-2.
What is the molecular formula of BAS 01940026?
The molecular formula of BAS 01940026 is C23H25IN4OS.
What is the molecular weight of BAS 01940026?
The molecular weight of BAS 01940026 is 532.08 g/mol.
Where can I buy BAS 01940026?
You can request a quote for BAS 01940026 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01940026?
Yes, KEHONG BIO provides custom synthesis services for BAS 01940026 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.