ChemDiv1_012108
TL;DR: ChemDiv1_012108 (CAS 352330-77-9) is a chemical compound with molecular formula C27H25N5O2S and molecular weight 483.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-benzoylpiperazin-1-yl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: ChemDiv1_012108, A2394/0101352, 1-(4-benzoylpiperazin-1-yl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone, 1-benzoyl-4-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}piperazine, 1-(4-BENZOYLPIPERAZIN-1-YL)-2-[(4,5-DIPHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ETHAN-1-ONE
| Molecular Formula | C27H25N5O2S |
|---|---|
| Molecular Weight | 483.17 g/mol |
| LogP | 4.011 |
| Topological Polar Surface Area | 71.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.17288 |
| Heavy Atoms | 35 |
| Complexity | 1287.1781 |
Chemical Identifiers
| CAS Number | 352330-77-9 |
|---|---|
| SMILES | C1CN(CCN1C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5=CC=CC=C5 |
Product Overview
ChemDiv1_012108 (CAS 352330-77-9), with molecular formula C27H25N5O2S and molecular weight 483.17 g/mol. IUPAC: 1-(4-benzoylpiperazin-1-yl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of ChemDiv1_012108
Property Insights of ChemDiv1_012108
The XLogP value of 4.011 indicates that ChemDiv1_012108 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.33 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012108. Following Lipinski's Rule of Five, ChemDiv1_012108 has 0 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 ChemDiv1_012108?
The CAS number of ChemDiv1_012108 is 352330-77-9.
What is the molecular formula of ChemDiv1_012108?
The molecular formula of ChemDiv1_012108 is C27H25N5O2S.
What is the molecular weight of ChemDiv1_012108?
The molecular weight of ChemDiv1_012108 is 483.17 g/mol.
Where can I buy ChemDiv1_012108?
You can request a quote for ChemDiv1_012108 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012108?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012108 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.