A2057/0086506
TL;DR: A2057/0086506 (CAS 93300-35-7) is a chemical compound with molecular formula C21H21ClN4OS and molecular weight 412.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone
Also Known As: A2057/0086506, 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone, 2-{[5-(4-CHLOROPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-1-(PIPERIDIN-1-YL)ETHAN-1-ONE, 2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(piperidin-1-yl)ethanone
| Molecular Formula | C21H21ClN4OS |
|---|---|
| Molecular Weight | 412.11 g/mol |
| LogP | 4.6923 |
| Topological Polar Surface Area | 51.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.11246 |
| Heavy Atoms | 28 |
| Complexity | 936.79926 |
Chemical Identifiers
| CAS Number | 93300-35-7 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Cl |
Product Overview
A2057/0086506 (CAS 93300-35-7), with molecular formula C21H21ClN4OS and molecular weight 412.11 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone.
Chemical Property Profile of A2057/0086506
Property Insights of A2057/0086506
The XLogP value of 4.6923 indicates that A2057/0086506 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.02 Ų, A2057/0086506 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2057/0086506 has 0 hydrogen bond donor(s) and 4 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 A2057/0086506?
The CAS number of A2057/0086506 is 93300-35-7.
What is the molecular formula of A2057/0086506?
The molecular formula of A2057/0086506 is C21H21ClN4OS.
What is the molecular weight of A2057/0086506?
The molecular weight of A2057/0086506 is 412.11 g/mol.
Where can I buy A2057/0086506?
You can request a quote for A2057/0086506 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2057/0086506?
Yes, KEHONG BIO provides custom synthesis services for A2057/0086506 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.