BMY 40062 methanesulfonate
TL;DR: BMY 40062 methanesulfonate (CAS 125277-78-3) is a chemical compound with molecular formula C19H25FN4O6S and molecular weight 456.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-7-[(1R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;methanesulfonic acid
Also Known As: BMY 40062 methanesulfonate, 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)-, monomethanesulfonate, 1-tert-Butyl-7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid--methanesulfonic acid (1/1), 1-tert-Butyl-7-[(1R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid--methanesulfonic acid (1/1), 1-tert-butyl-7-[(1R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid; methanesulfonic acid
| Molecular Formula | C19H25FN4O6S |
|---|---|
| Molecular Weight | 456.15 g/mol |
| LogP | 1.0433 |
| Topological Polar Surface Area | 141.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 456.1479 |
| Heavy Atoms | 31 |
| Complexity | 1196.5703 |
Chemical Identifiers
| CAS Number | 125277-78-3 |
|---|---|
| SMILES | CC(C)(C)N1C=C(C(=O)C2=CC(=C(N=C21)N3CC4C[C@@H]3CN4)F)C(=O)O.CS(=O)(=O)O |
Product Overview
BMY 40062 methanesulfonate (CAS 125277-78-3), with molecular formula C19H25FN4O6S and molecular weight 456.15 g/mol. IUPAC: 1-tert-butyl-7-[(1R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;methanesulfonic acid.
Chemical Property Profile of BMY 40062 methanesulfonate
Property Insights of BMY 40062 methanesulfonate
The XLogP value of 1.0433 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BMY 40062 methanesulfonate. The TPSA of 141.83 Ų indicates high polarity, suggesting BMY 40062 methanesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BMY 40062 methanesulfonate has 3 hydrogen bond donor(s) and 7 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 methanesulfonate?
The CAS number of BMY 40062 methanesulfonate is 125277-78-3.
What is the molecular formula of BMY 40062 methanesulfonate?
The molecular formula of BMY 40062 methanesulfonate is C19H25FN4O6S.
What is the molecular weight of BMY 40062 methanesulfonate?
The molecular weight of BMY 40062 methanesulfonate is 456.15 g/mol.
Where can I buy BMY 40062 methanesulfonate?
You can request a quote for BMY 40062 methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BMY 40062 methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for BMY 40062 methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.