Brn 4272468
TL;DR: Brn 4272468 (CAS 126335-07-7) is a chemical compound with molecular formula C17H15F2NO4S and molecular weight 367.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
Also Known As: Furo(3,4-b)pyridine-3-carboxylic acid, 1,4,5,7-tetrahydro-4-(2-((difluoromethyl)thio)phenyl)-2-methyl-5-oxo-, methyl ester, methyl 4-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate, Methyl 4-{2-[(difluoromethyl)sulfanyl]phenyl}-2-methyl-5-oxo-1,4,5,7-tetrahydrofuro[3,4-b]pyridine-3-carboxylate, BRN 4272468, RefChem:330220
| Molecular Formula | C17H15F2NO4S |
|---|---|
| Molecular Weight | 367.07 g/mol |
| LogP | 2.946 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.069 |
| Heavy Atoms | 25 |
| Complexity | 803.5925 |
Chemical Identifiers
| CAS Number | 126335-07-7 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)COC2=O)C3=CC=CC=C3SC(F)F)C(=O)OC |
Product Overview
Brn 4272468 (CAS 126335-07-7), with molecular formula C17H15F2NO4S and molecular weight 367.07 g/mol. IUPAC: methyl 4-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate.
Chemical Property Profile of Brn 4272468
Property Insights of Brn 4272468
The XLogP value of 2.946 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Brn 4272468. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Brn 4272468. Following Lipinski's Rule of Five, Brn 4272468 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 Brn 4272468?
The CAS number of Brn 4272468 is 126335-07-7.
What is the molecular formula of Brn 4272468?
The molecular formula of Brn 4272468 is C17H15F2NO4S.
What is the molecular weight of Brn 4272468?
The molecular weight of Brn 4272468 is 367.07 g/mol.
Where can I buy Brn 4272468?
You can request a quote for Brn 4272468 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brn 4272468?
Yes, KEHONG BIO provides custom synthesis services for Brn 4272468 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.