Bmy 40062
TL;DR: Bmy 40062 (CAS 13406-05-8) is a chemical compound with molecular formula C18H21FN4O3 and molecular weight 360.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-7-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Also Known As: Bmy 40062, 1,8-Naphthyridine-3-carboxylic acid, 7-(2,5-diazabicyclo(2.2.1)hept-2-yl)-1-(1,1-dimethylethyl)-6-fluoro-1,4-dihydro-4-oxo-, (1R)-, 1-tert-butyl-7-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid, 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(2,5-diazabicyclo(2.2.1)hept-2-yl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, (1R)-, 1-tert-butyl-7-[(1r,4r)-2,5-diazabicyclo[2.2.1]hept-2-yl]-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
| Molecular Formula | C18H21FN4O3 |
|---|---|
| Molecular Weight | 360.16 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 85.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.15976 |
| Heavy Atoms | 26 |
| Complexity | 661.0 |
Chemical Identifiers
| CAS Number | 13406-05-8 |
|---|---|
| SMILES | CC(C)(C)N1C=C(C(=O)C2=CC(=C(N=C21)N3C[C@H]4C[C@@H]3CN4)F)C(=O)O |
| InChIKey | KNHLHFDFFDCJJR-NXEZZACHSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bmy 40062 (CAS 13406-05-8), with molecular formula C18H21FN4O3 and molecular weight 360.16 g/mol. IUPAC: 1-tert-butyl-7-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.
Chemical Property Profile of Bmy 40062
Property Insights of Bmy 40062
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bmy 40062. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Bmy 40062. Following Lipinski's Rule of Five, Bmy 40062 has 2 hydrogen bond donor(s) and 8 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 Bmy 40062?
The CAS number of Bmy 40062 is 13406-05-8.
What is the molecular formula of Bmy 40062?
The molecular formula of Bmy 40062 is C18H21FN4O3.
What is the molecular weight of Bmy 40062?
The molecular weight of Bmy 40062 is 360.16 g/mol.
Where can I buy Bmy 40062?
You can request a quote for Bmy 40062 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bmy 40062?
Yes, KEHONG BIO provides custom synthesis services for Bmy 40062 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.