AB00096780-01
TL;DR: AB00096780-01 (CAS 371936-46-8) is a chemical compound with molecular formula C19H25N5O3 and molecular weight 371.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)-4-(piperidin-4-ylmethyliminomethyl)-5-propyl-1H-pyrazol-3-one
Also Known As: AB00096780-01, (4E)-2-(4-nitrophenyl)-4-[(piperidin-4-ylmethylamino)methylidene]-5-propylpyrazol-3-one, (4E)-2-(4-nitrophenyl)-4-{[(piperidin-4-ylmethyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one, (4Z)-2-(4-nitrophenyl)-4-[(piperidin-4-ylmethylamino)methylidene]-5-propylpyrazol-3-one, 1-(4-nitrophenyl)-4-{(E)-[(piperidin-4-ylmethyl)imino]methyl}-3-propyl-1H-pyrazol-5-ol
| Molecular Formula | C19H25N5O3 |
|---|---|
| Molecular Weight | 371.20 g/mol |
| LogP | 2.4448 |
| Topological Polar Surface Area | 105.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 371.19574 |
| Heavy Atoms | 27 |
| Complexity | 860.4606 |
Chemical Identifiers
| CAS Number | 371936-46-8 |
|---|---|
| SMILES | CCCC1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])C=NCC3CCNCC3 |
Product Overview
AB00096780-01 (CAS 371936-46-8), with molecular formula C19H25N5O3 and molecular weight 371.20 g/mol. IUPAC: 2-(4-nitrophenyl)-4-(piperidin-4-ylmethyliminomethyl)-5-propyl-1H-pyrazol-3-one.
Chemical Property Profile of AB00096780-01
Property Insights of AB00096780-01
The XLogP value of 2.4448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00096780-01. The TPSA of 105.32 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00096780-01. Following Lipinski's Rule of Five, AB00096780-01 has 2 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 AB00096780-01?
The CAS number of AB00096780-01 is 371936-46-8.
What is the molecular formula of AB00096780-01?
The molecular formula of AB00096780-01 is C19H25N5O3.
What is the molecular weight of AB00096780-01?
The molecular weight of AB00096780-01 is 371.20 g/mol.
Where can I buy AB00096780-01?
You can request a quote for AB00096780-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00096780-01?
Yes, KEHONG BIO provides custom synthesis services for AB00096780-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.