A3893/0165577
TL;DR: A3893/0165577 (CAS 728887-08-9) is a chemical compound with molecular formula C20H22N6O6 and molecular weight 442.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[4-(morpholine-4-carbonyl)-2-nitrophenyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
Also Known As: A3893/0165577, 6-({4-[4-(morpholin-4-ylcarbonyl)-2-nitrophenyl]piperazin-1-yl}carbonyl)pyridazin-3(2H)-one, 3-[4-[4-(morpholine-4-carbonyl)-2-nitrophenyl]piperazine-1-carbonyl]-1H-pyridazin-6-one, (6-Hydroxypyridazin-3-yl)(4-(4-(morpholine-4-carbonyl)-2-nitrophenyl)piperazin-1-yl)methanone, 6-{4-[4-(MORPHOLINE-4-CARBONYL)-2-NITROPHENYL]PIPERAZINE-1-CARBONYL}-2,3-DIHYDROPYRIDAZIN-3-ONE
| Molecular Formula | C20H22N6O6 |
|---|---|
| Molecular Weight | 442.16 g/mol |
| LogP | 0.1129 |
| Topological Polar Surface Area | 141.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.1601 |
| Heavy Atoms | 32 |
| Complexity | 1067.7329 |
Chemical Identifiers
| CAS Number | 728887-08-9 |
|---|---|
| SMILES | C1CN(CCN1C2=C(C=C(C=C2)C(=O)N3CCOCC3)[N+](=O)[O-])C(=O)C4=NNC(=O)C=C4 |
Product Overview
A3893/0165577 (CAS 728887-08-9), with molecular formula C20H22N6O6 and molecular weight 442.16 g/mol. IUPAC: 3-[4-[4-(morpholine-4-carbonyl)-2-nitrophenyl]piperazine-1-carbonyl]-1H-pyridazin-6-one.
Chemical Property Profile of A3893/0165577
Property Insights of A3893/0165577
The XLogP value of 0.1129 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3893/0165577. The TPSA of 141.98 Ų indicates high polarity, suggesting A3893/0165577 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A3893/0165577 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 A3893/0165577?
The CAS number of A3893/0165577 is 728887-08-9.
What is the molecular formula of A3893/0165577?
The molecular formula of A3893/0165577 is C20H22N6O6.
What is the molecular weight of A3893/0165577?
The molecular weight of A3893/0165577 is 442.16 g/mol.
Where can I buy A3893/0165577?
You can request a quote for A3893/0165577 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3893/0165577?
Yes, KEHONG BIO provides custom synthesis services for A3893/0165577 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.