Pyridinone deriv.
TL;DR: Pyridinone deriv. (CAS 139548-05-3) is a chemical compound with molecular formula C17H17Cl2N3O2 and molecular weight 365.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4,7-dichloro-1,3-benzoxazol-2-yl)methyl-methylamino]-5-ethyl-6-methyl-1H-pyridin-2-one
Also Known As: Pyridinone deriv., 3-Aminopyridin-2(1H)-one analogue 51, 3-{[(4,7-dichloro-1,3-benzoxazol-2-yl)methyl](methyl)amino}-5-ethyl-6-methyl-1,2-dihydropyridin-2-one, 3-[(4,7-Dichloro-2-benzoxazolylmethyl)amino]-5-ethyl-6-methylpyridin-2(1H)-one, 3-[Methyl[(4,7-dichlorobenzoxazol-2-yl)methyl]amino]-5-ethyl-6-methylpyridin-2(1H)-one
| Molecular Formula | C17H17Cl2N3O2 |
|---|---|
| Molecular Weight | 365.07 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 365.0698 |
| Heavy Atoms | 24 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 139548-05-3 |
|---|---|
| SMILES | CCC1=C(NC(=O)C(=C1)N(C)CC2=NC3=C(C=CC(=C3O2)Cl)Cl)C |
| InChIKey | QOQOEYLFCWZWJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyridinone deriv. (CAS 139548-05-3), with molecular formula C17H17Cl2N3O2 and molecular weight 365.07 g/mol. IUPAC: 3-[(4,7-dichloro-1,3-benzoxazol-2-yl)methyl-methylamino]-5-ethyl-6-methyl-1H-pyridin-2-one.
Chemical Property Profile of Pyridinone deriv.
Property Insights of Pyridinone deriv.
The XLogP value of 3.9 indicates that Pyridinone deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.4 Ų, Pyridinone deriv. exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridinone deriv. 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 Pyridinone deriv.?
The CAS number of Pyridinone deriv. is 139548-05-3.
What is the molecular formula of Pyridinone deriv.?
The molecular formula of Pyridinone deriv. is C17H17Cl2N3O2.
What is the molecular weight of Pyridinone deriv.?
The molecular weight of Pyridinone deriv. is 365.07 g/mol.
Where can I buy Pyridinone deriv.?
You can request a quote for Pyridinone deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridinone deriv.?
Yes, KEHONG BIO provides custom synthesis services for Pyridinone deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.