2(3H)-Benzoxazolone, 3-methyl-6-(1-oxo-4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-
TL;DR: 2(3H)-Benzoxazolone, 3-methyl-6-(1-oxo-4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)- (CAS 124673-96-7) is a chemical compound with molecular formula C20H23N5O3 and molecular weight 381.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoyl]-1,3-benzoxazol-2-one
Also Known As: 2(3H)-Benzoxazolone, 3-methyl-6-(1-oxo-4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-, (((Pyrimidino-2)-4 piperazinyl-1)-4 butyryl)-6 methyl-3 benzoxazolinone, 3-Methyl-6-(1-oxo-4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-2(3H) benzoxazolone, 3-methyl-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoyl]-1,3-benzoxazol-2-one, 3-Methyl-6-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butanoyl}-1,3-benzoxazol-2(3H)-one
| Molecular Formula | C20H23N5O3 |
|---|---|
| Molecular Weight | 381.18 g/mol |
| LogP | 1.7066 |
| Topological Polar Surface Area | 84.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.18008 |
| Heavy Atoms | 28 |
| Complexity | 1019.24725 |
Chemical Identifiers
| CAS Number | 124673-96-7 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)C(=O)CCCN3CCN(CC3)C4=NC=CC=N4)OC1=O |
Product Overview
2(3H)-Benzoxazolone, 3-methyl-6-(1-oxo-4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)- (CAS 124673-96-7), with molecular formula C20H23N5O3 and molecular weight 381.18 g/mol. IUPAC: 3-methyl-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoyl]-1,3-benzoxazol-2-one.
Chemical Property Profile of 2(3H)-Benzoxazolone, 3-methyl-6-(1-oxo-4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-
Property Insights of 2(3H)-Benzoxazolone, 3-methyl-6-(1-oxo-4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-
The XLogP value of 1.7066 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Benzoxazolone, 3-methyl-6-(1-oxo-4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-. The TPSA of 84.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2(3H)-Benzoxazolone, 3-methyl-6-(1-oxo-4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-. Following Lipinski's Rule of Five, 2(3H)-Benzoxazolone, 3-methyl-6-(1-oxo-4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)- has 0 hydrogen bond donor(s) and 7 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 2(3H)-Benzoxazolone, 3-methyl-6-(1-oxo-4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-?
The CAS number of 2(3H)-Benzoxazolone, 3-methyl-6-(1-oxo-4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)- is 124673-96-7.
What is the molecular formula of 2(3H)-Benzoxazolone, 3-methyl-6-(1-oxo-4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-?
The molecular formula of 2(3H)-Benzoxazolone, 3-methyl-6-(1-oxo-4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)- is C20H23N5O3.
What is the molecular weight of 2(3H)-Benzoxazolone, 3-methyl-6-(1-oxo-4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-?
The molecular weight of 2(3H)-Benzoxazolone, 3-methyl-6-(1-oxo-4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)- is 381.18 g/mol.
Where can I buy 2(3H)-Benzoxazolone, 3-methyl-6-(1-oxo-4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-?
You can request a quote for 2(3H)-Benzoxazolone, 3-methyl-6-(1-oxo-4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(3H)-Benzoxazolone, 3-methyl-6-(1-oxo-4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzoxazolone, 3-methyl-6-(1-oxo-4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.