AO-022/43453459
TL;DR: AO-022/43453459 (CAS 674330-14-4) is a chemical compound with molecular formula C22H31N7O2 and molecular weight 425.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-benzylpiperazin-1-yl)-2-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine
Also Known As: AO-022/43453459, 6-(4-benzylpiperazin-1-yl)-2-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine, 6-(4-benzyl-1-piperazinyl)-2-(3,5-dimethyl-1-piperidinyl)-5-nitro-4-pyrimidinylamine, 6-(4-benzylpiperazin-1-yl)-2-(3,5-dimethyl-1-piperidyl)-5-nitro-pyrimidin-4-amine
| Molecular Formula | C22H31N7O2 |
|---|---|
| Molecular Weight | 425.25 g/mol |
| LogP | 2.7715 |
| Topological Polar Surface Area | 104.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.25394 |
| Heavy Atoms | 31 |
| Complexity | 905.5755 |
Chemical Identifiers
| CAS Number | 674330-14-4 |
|---|---|
| SMILES | CC1CC(CN(C1)C2=NC(=C(C(=N2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-])N)C |
Product Overview
AO-022/43453459 (CAS 674330-14-4), with molecular formula C22H31N7O2 and molecular weight 425.25 g/mol. IUPAC: 6-(4-benzylpiperazin-1-yl)-2-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine.
Chemical Property Profile of AO-022/43453459
Property Insights of AO-022/43453459
The XLogP value of 2.7715 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-022/43453459. The TPSA of 104.66 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43453459. Following Lipinski's Rule of Five, AO-022/43453459 has 1 hydrogen bond donor(s) and 8 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 AO-022/43453459?
The CAS number of AO-022/43453459 is 674330-14-4.
What is the molecular formula of AO-022/43453459?
The molecular formula of AO-022/43453459 is C22H31N7O2.
What is the molecular weight of AO-022/43453459?
The molecular weight of AO-022/43453459 is 425.25 g/mol.
Where can I buy AO-022/43453459?
You can request a quote for AO-022/43453459 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43453459?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43453459 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.