s36549
TL;DR: s36549 (CAS 494861-87-9) is a chemical compound with molecular formula C19H21ClFN5O2 and molecular weight 405.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethylamino]-2-methylpyridazin-3-one
Also Known As: s36549, 3(2H)-Pyridazinone, 4-chloro-5-((2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)ethyl)amino)-2-methyl-, 4-Chloro-5-(2-(4-(6-fluoro-benzo(d)isoxazol-3-yl)-piperidin-1-yl)-ethylamino)-2-methyl-2H-pyridazin-3-one, 4-chloro-5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethylamino]-2-methylpyridazin-3-one, 4-Chloro-5-{2-[4-(6-fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-ethylamino}-2-methyl-2H-pyridazin-3-one
| Molecular Formula | C19H21ClFN5O2 |
|---|---|
| Molecular Weight | 405.14 g/mol |
| LogP | 3.0055 |
| Topological Polar Surface Area | 76.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.13678 |
| Heavy Atoms | 28 |
| Complexity | 1042.4703 |
Chemical Identifiers
| CAS Number | 494861-87-9 |
|---|---|
| SMILES | CN1C(=O)C(=C(C=N1)NCCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)Cl |
Product Overview
s36549 (CAS 494861-87-9), with molecular formula C19H21ClFN5O2 and molecular weight 405.14 g/mol. IUPAC: 4-chloro-5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethylamino]-2-methylpyridazin-3-one.
Chemical Property Profile of s36549
Property Insights of s36549
The XLogP value of 3.0055 indicates that s36549 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.19 Ų falls within the moderate polarity range, balancing permeability and solubility for s36549. Following Lipinski's Rule of Five, s36549 has 1 hydrogen bond donor(s) and 6 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 s36549?
The CAS number of s36549 is 494861-87-9.
What is the molecular formula of s36549?
The molecular formula of s36549 is C19H21ClFN5O2.
What is the molecular weight of s36549?
The molecular weight of s36549 is 405.14 g/mol.
Where can I buy s36549?
You can request a quote for s36549 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for s36549?
Yes, KEHONG BIO provides custom synthesis services for s36549 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.