Wy 46531
TL;DR: Wy 46531 (CAS 100822-63-7) is a chemical compound with molecular formula C27H26ClF5N2O4 and molecular weight 572.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-(2-hydroxy-4-phenylbutyl)-2-methyl-5-oxo-4-(2,3,4,5,6-pentafluorophenyl)-1,4,6,8-tetrahydro-1,7-naphthyridine-3-carboxylate;hydrochloride
Also Known As: Wy-46,531, Wy 46531, methyl 7-(2-hydroxy-4-phenylbutyl)-2-methyl-5-oxo-4-(2,3,4,5,6-pentafluorophenyl)-1,4,6,8-tetrahydro-1,7-naphthyridine-3-carboxylate;hydrochloride, 1,4,5,6,7,8- Hexahydro-2-methyl-5-oxo-4-(pentafluorophenyl)-7-(2-hydroxy-4-phenylbutyl)-1,7-naphthyridine-3-carboxylic acid methyl ester hcl, 1,4,5,6,7,8-HEXAHYDRO-2-METHYL-5-OXO-4-(PENTAFLUOROPHENYL)-7-(2-HYDROXY-4-PHENYLBUTYL)-1,7-NAPHTHYRIDINE-3-CARBOXYLIC ACID METHYL ESTER HCL
| Molecular Formula | C27H26ClF5N2O4 |
|---|---|
| Molecular Weight | 572.15 g/mol |
| LogP | 4.0702 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 572.15015 |
| Heavy Atoms | 39 |
| Complexity | 953.0 |
Chemical Identifiers
| CAS Number | 100822-63-7 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CN(CC2=O)CC(CCC3=CC=CC=C3)O)C4=C(C(=C(C(=C4F)F)F)F)F)C(=O)OC.Cl |
| InChIKey | MEQGIOMUCWJCMY-UHFFFAOYSA-N |
Product Overview
Wy 46531 (CAS 100822-63-7), with molecular formula C27H26ClF5N2O4 and molecular weight 572.15 g/mol. IUPAC: methyl 7-(2-hydroxy-4-phenylbutyl)-2-methyl-5-oxo-4-(2,3,4,5,6-pentafluorophenyl)-1,4,6,8-tetrahydro-1,7-naphthyridine-3-carboxylate;hydrochloride.
Chemical Property Profile of Wy 46531
Property Insights of Wy 46531
The XLogP value of 4.0702 indicates that Wy 46531 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Wy 46531. Following Lipinski's Rule of Five, Wy 46531 has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Wy 46531?
The CAS number of Wy 46531 is 100822-63-7.
What is the molecular formula of Wy 46531?
The molecular formula of Wy 46531 is C27H26ClF5N2O4.
What is the molecular weight of Wy 46531?
The molecular weight of Wy 46531 is 572.15 g/mol.
Where can I buy Wy 46531?
You can request a quote for Wy 46531 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Wy 46531?
Yes, KEHONG BIO provides custom synthesis services for Wy 46531 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.