Ketone, (1,2,4-benzotriazin-3-yl)methyl 1-pyrrolidinyl
TL;DR: Ketone, (1,2,4-benzotriazin-3-yl)methyl 1-pyrrolidinyl (CAS 80722-69-6) is a chemical compound with molecular formula C13H14N4O and molecular weight 242.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyrido[3,2-c]pyridazin-3-yl-1-pyrrolidin-1-ylethanone
Also Known As: Pyrrolidine, 1-((1,2,4-benzotriazin-3-yl)acetyl)-, KETONE, (1,2,4-BENZOTRIAZIN-3-YL)METHYL 1-PYRROLIDINYL, 2-pyrido[3,2-c]pyridazin-3-yl-1-pyrrolidin-1-ylethanone, 2-(Pyrido[3,2-c]pyridazin-3-yl)-1-(pyrrolidin-1-yl)ethan-1-one, BRN 5556456
| Molecular Formula | C13H14N4O |
|---|---|
| Molecular Weight | 242.12 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.11676 |
| Heavy Atoms | 18 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 80722-69-6 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CC2=CC3=C(C=CC=N3)N=N2 |
| InChIKey | ZKPIWCZDSIDDRQ-UHFFFAOYSA-N |
Product Overview
Ketone, (1,2,4-benzotriazin-3-yl)methyl 1-pyrrolidinyl (CAS 80722-69-6), with molecular formula C13H14N4O and molecular weight 242.12 g/mol. IUPAC: 2-pyrido[3,2-c]pyridazin-3-yl-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of Ketone, (1,2,4-benzotriazin-3-yl)methyl 1-pyrrolidinyl
Property Insights of Ketone, (1,2,4-benzotriazin-3-yl)methyl 1-pyrrolidinyl
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ketone, (1,2,4-benzotriazin-3-yl)methyl 1-pyrrolidinyl. With a topological polar surface area (TPSA) of 59.0 Ų, Ketone, (1,2,4-benzotriazin-3-yl)methyl 1-pyrrolidinyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ketone, (1,2,4-benzotriazin-3-yl)methyl 1-pyrrolidinyl has 0 hydrogen bond donor(s) and 4 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 Ketone, (1,2,4-benzotriazin-3-yl)methyl 1-pyrrolidinyl?
The CAS number of Ketone, (1,2,4-benzotriazin-3-yl)methyl 1-pyrrolidinyl is 80722-69-6.
What is the molecular formula of Ketone, (1,2,4-benzotriazin-3-yl)methyl 1-pyrrolidinyl?
The molecular formula of Ketone, (1,2,4-benzotriazin-3-yl)methyl 1-pyrrolidinyl is C13H14N4O.
What is the molecular weight of Ketone, (1,2,4-benzotriazin-3-yl)methyl 1-pyrrolidinyl?
The molecular weight of Ketone, (1,2,4-benzotriazin-3-yl)methyl 1-pyrrolidinyl is 242.12 g/mol.
Where can I buy Ketone, (1,2,4-benzotriazin-3-yl)methyl 1-pyrrolidinyl?
You can request a quote for Ketone, (1,2,4-benzotriazin-3-yl)methyl 1-pyrrolidinyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ketone, (1,2,4-benzotriazin-3-yl)methyl 1-pyrrolidinyl?
Yes, KEHONG BIO provides custom synthesis services for Ketone, (1,2,4-benzotriazin-3-yl)methyl 1-pyrrolidinyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.