(1-Methylbenzotriazol-5-yl)-(4-phenylpiperazin-1-yl)methanone
TL;DR: (1-Methylbenzotriazol-5-yl)-(4-phenylpiperazin-1-yl)methanone (CAS 695172-67-9) is a chemical compound with molecular formula C18H19N5O and molecular weight 321.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylbenzotriazol-5-yl)-(4-phenylpiperazin-1-yl)methanone
Also Known As: BAS 07220451, 1-methylbenzotriazol-5-yl 4-phenylpiperazinyl ketone, (1-methylbenzotriazol-5-yl)-(4-phenylpiperazin-1-yl)methanone, (1-methyl-1H-benzotriazol-5-yl)(4-phenylpiperazin-1-yl)methanone, (1-Methyl-1H-benzotriazol-5-yl)-(4-phenyl-piperazin-1-yl)-methanone
| Molecular Formula | C18H19N5O |
|---|---|
| Molecular Weight | 321.16 g/mol |
| LogP | 1.9307 |
| Topological Polar Surface Area | 54.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.15897 |
| Heavy Atoms | 24 |
| Complexity | 865.50635 |
Chemical Identifiers
| CAS Number | 695172-67-9 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)N=N1 |
Product Overview
(1-Methylbenzotriazol-5-yl)-(4-phenylpiperazin-1-yl)methanone (CAS 695172-67-9), with molecular formula C18H19N5O and molecular weight 321.16 g/mol. IUPAC: (1-methylbenzotriazol-5-yl)-(4-phenylpiperazin-1-yl)methanone.
Chemical Property Profile of (1-Methylbenzotriazol-5-yl)-(4-phenylpiperazin-1-yl)methanone
Property Insights of (1-Methylbenzotriazol-5-yl)-(4-phenylpiperazin-1-yl)methanone
The XLogP value of 1.9307 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Methylbenzotriazol-5-yl)-(4-phenylpiperazin-1-yl)methanone. With a topological polar surface area (TPSA) of 54.26 Ų, (1-Methylbenzotriazol-5-yl)-(4-phenylpiperazin-1-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Methylbenzotriazol-5-yl)-(4-phenylpiperazin-1-yl)methanone 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 (1-Methylbenzotriazol-5-yl)-(4-phenylpiperazin-1-yl)methanone?
The CAS number of (1-Methylbenzotriazol-5-yl)-(4-phenylpiperazin-1-yl)methanone is 695172-67-9.
What is the molecular formula of (1-Methylbenzotriazol-5-yl)-(4-phenylpiperazin-1-yl)methanone?
The molecular formula of (1-Methylbenzotriazol-5-yl)-(4-phenylpiperazin-1-yl)methanone is C18H19N5O.
What is the molecular weight of (1-Methylbenzotriazol-5-yl)-(4-phenylpiperazin-1-yl)methanone?
The molecular weight of (1-Methylbenzotriazol-5-yl)-(4-phenylpiperazin-1-yl)methanone is 321.16 g/mol.
Where can I buy (1-Methylbenzotriazol-5-yl)-(4-phenylpiperazin-1-yl)methanone?
You can request a quote for (1-Methylbenzotriazol-5-yl)-(4-phenylpiperazin-1-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Methylbenzotriazol-5-yl)-(4-phenylpiperazin-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (1-Methylbenzotriazol-5-yl)-(4-phenylpiperazin-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.