5-(allylamino)-4-chloro-2-(3,3-dimethyl-2-oxobutyl)-3(2H)-pyridazinone
TL;DR: 5-(allylamino)-4-chloro-2-(3,3-dimethyl-2-oxobutyl)-3(2H)-pyridazinone (CAS 477860-39-2) is a chemical compound with molecular formula C13H18ClN3O2 and molecular weight 283.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-(3,3-dimethyl-2-oxobutyl)-5-(prop-2-enylamino)pyridazin-3-one
Also Known As: 12N-362S, 5-(allylamino)-4-chloro-2-(3,3-dimethyl-2-oxobutyl)-3(2H)-pyridazinone, 4-chloro-2-(3,3-dimethyl-2-oxobutyl)-5-(prop-2-enylamino)pyridazin-3-one, 4-chloro-2-(3,3-dimethyl-2-oxobutyl)-5-[(prop-2-en-1-yl)amino]-2,3-dihydropyridazin-3-one
| Molecular Formula | C13H18ClN3O2 |
|---|---|
| Molecular Weight | 283.11 g/mol |
| LogP | 2.1098 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 283.10876 |
| Heavy Atoms | 19 |
| Complexity | 543.7998 |
Chemical Identifiers
| CAS Number | 477860-39-2 |
|---|---|
| SMILES | CC(C)(C)C(=O)CN1C(=O)C(=C(C=N1)NCC=C)Cl |
Product Overview
5-(allylamino)-4-chloro-2-(3,3-dimethyl-2-oxobutyl)-3(2H)-pyridazinone (CAS 477860-39-2), with molecular formula C13H18ClN3O2 and molecular weight 283.11 g/mol. IUPAC: 4-chloro-2-(3,3-dimethyl-2-oxobutyl)-5-(prop-2-enylamino)pyridazin-3-one.
Chemical Property Profile of 5-(allylamino)-4-chloro-2-(3,3-dimethyl-2-oxobutyl)-3(2H)-pyridazinone
Property Insights of 5-(allylamino)-4-chloro-2-(3,3-dimethyl-2-oxobutyl)-3(2H)-pyridazinone
The XLogP value of 2.1098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(allylamino)-4-chloro-2-(3,3-dimethyl-2-oxobutyl)-3(2H)-pyridazinone. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(allylamino)-4-chloro-2-(3,3-dimethyl-2-oxobutyl)-3(2H)-pyridazinone. Following Lipinski's Rule of Five, 5-(allylamino)-4-chloro-2-(3,3-dimethyl-2-oxobutyl)-3(2H)-pyridazinone has 1 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 5-(allylamino)-4-chloro-2-(3,3-dimethyl-2-oxobutyl)-3(2H)-pyridazinone?
The CAS number of 5-(allylamino)-4-chloro-2-(3,3-dimethyl-2-oxobutyl)-3(2H)-pyridazinone is 477860-39-2.
What is the molecular formula of 5-(allylamino)-4-chloro-2-(3,3-dimethyl-2-oxobutyl)-3(2H)-pyridazinone?
The molecular formula of 5-(allylamino)-4-chloro-2-(3,3-dimethyl-2-oxobutyl)-3(2H)-pyridazinone is C13H18ClN3O2.
What is the molecular weight of 5-(allylamino)-4-chloro-2-(3,3-dimethyl-2-oxobutyl)-3(2H)-pyridazinone?
The molecular weight of 5-(allylamino)-4-chloro-2-(3,3-dimethyl-2-oxobutyl)-3(2H)-pyridazinone is 283.11 g/mol.
Where can I buy 5-(allylamino)-4-chloro-2-(3,3-dimethyl-2-oxobutyl)-3(2H)-pyridazinone?
You can request a quote for 5-(allylamino)-4-chloro-2-(3,3-dimethyl-2-oxobutyl)-3(2H)-pyridazinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(allylamino)-4-chloro-2-(3,3-dimethyl-2-oxobutyl)-3(2H)-pyridazinone?
Yes, KEHONG BIO provides custom synthesis services for 5-(allylamino)-4-chloro-2-(3,3-dimethyl-2-oxobutyl)-3(2H)-pyridazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.