Piperazine, 1-benzoyl-4-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride
TL;DR: Piperazine, 1-benzoyl-4-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride (CAS 122113-36-4) is a chemical compound with molecular formula C18H20ClN5O2 and molecular weight 373.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-benzoylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
Also Known As: Piperazine, 1-benzoyl-4-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride, 2-(4-benzoylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one hydrochloride, 2-(4-Benzoylpiperazin-1-yl)-7-methyl-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one--hydrogen chloride (1/1), RefChem:372546
| Molecular Formula | C18H20ClN5O2 |
|---|---|
| Molecular Weight | 373.13 g/mol |
| LogP | 1.3797 |
| Topological Polar Surface Area | 69.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 373.13055 |
| Heavy Atoms | 26 |
| Complexity | 821.5861 |
Chemical Identifiers
| CAS Number | 122113-36-4 |
|---|---|
| SMILES | CN1C(=O)CC2=CN=C(N=C21)N3CCN(CC3)C(=O)C4=CC=CC=C4.Cl |
Product Overview
Piperazine, 1-benzoyl-4-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride (CAS 122113-36-4), with molecular formula C18H20ClN5O2 and molecular weight 373.13 g/mol. IUPAC: 2-(4-benzoylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride.
Chemical Property Profile of Piperazine, 1-benzoyl-4-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride
Property Insights of Piperazine, 1-benzoyl-4-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride
The XLogP value of 1.3797 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperazine, 1-benzoyl-4-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride. The TPSA of 69.64 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperazine, 1-benzoyl-4-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride. Following Lipinski's Rule of Five, Piperazine, 1-benzoyl-4-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride 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 Piperazine, 1-benzoyl-4-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride?
The CAS number of Piperazine, 1-benzoyl-4-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride is 122113-36-4.
What is the molecular formula of Piperazine, 1-benzoyl-4-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride?
The molecular formula of Piperazine, 1-benzoyl-4-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride is C18H20ClN5O2.
What is the molecular weight of Piperazine, 1-benzoyl-4-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride?
The molecular weight of Piperazine, 1-benzoyl-4-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride is 373.13 g/mol.
Where can I buy Piperazine, 1-benzoyl-4-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride?
You can request a quote for Piperazine, 1-benzoyl-4-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperazine, 1-benzoyl-4-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Piperazine, 1-benzoyl-4-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.