BAS 05102131
TL;DR: BAS 05102131 (CAS 579448-81-0) is a chemical compound with molecular formula C22H23N3O3 and molecular weight 377.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
Also Known As: BAS 05102131, N-((2-hydroxy-6-methylquinolin-3-yl)methyl)-N-((tetrahydrofuran-2-yl)methyl)isonicotinamide, N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide, N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(tetrahydrofuran-2-ylmethyl)pyridine-4-carboxamide
| Molecular Formula | C22H23N3O3 |
|---|---|
| Molecular Weight | 377.17 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 71.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.17395 |
| Heavy Atoms | 28 |
| Complexity | 614.0 |
Chemical Identifiers
| CAS Number | 579448-81-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3CCCO3)C(=O)C4=CC=NC=C4 |
| InChIKey | DCWSVHWWKLFIPF-UHFFFAOYSA-N |
Product Overview
BAS 05102131 (CAS 579448-81-0), with molecular formula C22H23N3O3 and molecular weight 377.17 g/mol. IUPAC: N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide.
Chemical Property Profile of BAS 05102131
Property Insights of BAS 05102131
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05102131. The TPSA of 71.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05102131. Following Lipinski's Rule of Five, BAS 05102131 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 BAS 05102131?
The CAS number of BAS 05102131 is 579448-81-0.
What is the molecular formula of BAS 05102131?
The molecular formula of BAS 05102131 is C22H23N3O3.
What is the molecular weight of BAS 05102131?
The molecular weight of BAS 05102131 is 377.17 g/mol.
Where can I buy BAS 05102131?
You can request a quote for BAS 05102131 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05102131?
Yes, KEHONG BIO provides custom synthesis services for BAS 05102131 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.