Bay R3401
TL;DR: Bay R3401 (CAS 100276-03-7) is a chemical compound with molecular formula C20H22ClNO4 and molecular weight 375.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-(2-chlorophenyl)-1-ethyl-2-methyl-5-oxo-4,7-dihydrofuro[3,4-b]pyridine-3-carboxylate
Also Known As: B3936_SIGMA, BAY R3401, >=98% (HPLC), solid, J1.484.603D, propan-2-yl 4-(2-chlorophenyl)-1-ethyl-2-methyl-5-oxo-4,7-dihydrofuro[3,4-b]pyridine-3-carboxylate, 4-(2-Chlorophenyl)-1-ethyl-2-methyl-5-oxo-1,4,5,7-tetrahydrofuro[3,4-b]pyridine-3-carboxylic acid isopropyl ester
| Molecular Formula | C20H22ClNO4 |
|---|---|
| Molecular Weight | 375.12 g/mol |
| LogP | 3.7956 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.12375 |
| Heavy Atoms | 26 |
| Complexity | 824.85504 |
Chemical Identifiers
| CAS Number | 100276-03-7 |
|---|---|
| SMILES | CCN1C(=C(C(C2=C1COC2=O)C3=CC=CC=C3Cl)C(=O)OC(C)C)C |
Product Overview
Bay R3401 (CAS 100276-03-7), with molecular formula C20H22ClNO4 and molecular weight 375.12 g/mol. IUPAC: propan-2-yl 4-(2-chlorophenyl)-1-ethyl-2-methyl-5-oxo-4,7-dihydrofuro[3,4-b]pyridine-3-carboxylate.
Chemical Property Profile of Bay R3401
Property Insights of Bay R3401
The XLogP value of 3.7956 indicates that Bay R3401 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, Bay R3401 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bay R3401 has 0 hydrogen bond donor(s) and 5 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 Bay R3401?
The CAS number of Bay R3401 is 100276-03-7.
What is the molecular formula of Bay R3401?
The molecular formula of Bay R3401 is C20H22ClNO4.
What is the molecular weight of Bay R3401?
The molecular weight of Bay R3401 is 375.12 g/mol.
Where can I buy Bay R3401?
You can request a quote for Bay R3401 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bay R3401?
Yes, KEHONG BIO provides custom synthesis services for Bay R3401 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.