Bay W 5035
TL;DR: Bay W 5035 (CAS 129238-72-8) is a chemical compound with molecular formula C17H18F3N3O4 and molecular weight 385.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminoethyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
Also Known As: Bay W 5035, Bay W-5035, 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-nitro-4-(2-(trifluoromethyl)phenyl)-, 2-aminoethyl ester, 2-aminoethyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate, 1,4-Dihydro-2,6-dimethyl-3-nitro-4-(2-trifluoromethylphenyl)pyridine-5-carboxy-2-aminoethyl ester
| Molecular Formula | C17H18F3N3O4 |
|---|---|
| Molecular Weight | 385.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.12494 |
| Heavy Atoms | 27 |
| Complexity | 667.0 |
Chemical Identifiers
| CAS Number | 129238-72-8 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F)C(=O)OCCN |
| InChIKey | RCJFYGYHESLEHK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bay W 5035 (CAS 129238-72-8), with molecular formula C17H18F3N3O4 and molecular weight 385.12 g/mol. IUPAC: 2-aminoethyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of Bay W 5035
Property Insights of Bay W 5035
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bay W 5035. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bay W 5035. Following Lipinski's Rule of Five, Bay W 5035 has 2 hydrogen bond donor(s) and 9 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 W 5035?
The CAS number of Bay W 5035 is 129238-72-8.
What is the molecular formula of Bay W 5035?
The molecular formula of Bay W 5035 is C17H18F3N3O4.
What is the molecular weight of Bay W 5035?
The molecular weight of Bay W 5035 is 385.12 g/mol.
Where can I buy Bay W 5035?
You can request a quote for Bay W 5035 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bay W 5035?
Yes, KEHONG BIO provides custom synthesis services for Bay W 5035 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.