1-( -3-phenyl-2-piperazinoneoxalate
TL;DR: 1-( -3-phenyl-2-piperazinoneoxalate (CAS 81735-48-0) is a chemical compound with molecular formula C23H25N3O5S and molecular weight 455.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4,4-dimethyl-1,3-benzothiazin-2-yl)methyl]-3-phenylpiperazin-2-one;oxalic acid
Also Known As: 1-( -3-phenyl-2-piperazinoneoxalate, 2-(2'-Oxo-3'-phenylpiperazino)methyl-4,4-dimethyl-4H-1,3-benzothiazine oxalate, 1-((4,4-Dimethyl-4H-1,3-benzothiazin-2-yl)methyl)-3-phenyl-2-piperazinone oxalate, 2-Piperazinone, 1-((4,4-dimethyl-4H-1,3-benzothiazin-2-yl)methyl)-3-phenyl-, oxalate, 1-[(4,4-dimethyl-1,3-benzothiazin-2-yl)methyl]-3-phenylpiper
| Molecular Formula | C23H25N3O5S |
|---|---|
| Molecular Weight | 455.15 g/mol |
| LogP | 2.7546 |
| Topological Polar Surface Area | 119.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 455.1515 |
| Heavy Atoms | 32 |
| Complexity | 1026.9373 |
Chemical Identifiers
| CAS Number | 81735-48-0 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2SC(=N1)CN3CCNC(C3=O)C4=CC=CC=C4)C.C(=O)(C(=O)O)O |
Product Overview
1-( -3-phenyl-2-piperazinoneoxalate (CAS 81735-48-0), with molecular formula C23H25N3O5S and molecular weight 455.15 g/mol. IUPAC: 1-[(4,4-dimethyl-1,3-benzothiazin-2-yl)methyl]-3-phenylpiperazin-2-one;oxalic acid.
Chemical Property Profile of 1-( -3-phenyl-2-piperazinoneoxalate
Property Insights of 1-( -3-phenyl-2-piperazinoneoxalate
The XLogP value of 2.7546 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-( -3-phenyl-2-piperazinoneoxalate. The TPSA of 119.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-( -3-phenyl-2-piperazinoneoxalate. Following Lipinski's Rule of Five, 1-( -3-phenyl-2-piperazinoneoxalate has 3 hydrogen bond donor(s) and 6 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-( -3-phenyl-2-piperazinoneoxalate?
The CAS number of 1-( -3-phenyl-2-piperazinoneoxalate is 81735-48-0.
What is the molecular formula of 1-( -3-phenyl-2-piperazinoneoxalate?
The molecular formula of 1-( -3-phenyl-2-piperazinoneoxalate is C23H25N3O5S.
What is the molecular weight of 1-( -3-phenyl-2-piperazinoneoxalate?
The molecular weight of 1-( -3-phenyl-2-piperazinoneoxalate is 455.15 g/mol.
Where can I buy 1-( -3-phenyl-2-piperazinoneoxalate?
You can request a quote for 1-( -3-phenyl-2-piperazinoneoxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-( -3-phenyl-2-piperazinoneoxalate?
Yes, KEHONG BIO provides custom synthesis services for 1-( -3-phenyl-2-piperazinoneoxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.