XD405
TL;DR: XD405 (CAS 150525-63-6) is a chemical compound with molecular formula C25H26F2N4O7S2 and molecular weight 596.1211 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,4-difluorophenyl)-3-(4-pyridin-3-ylphenyl)-1-(1,2,4-triazol-1-yl)but-3-en-2-ol;methanesulfonic acid
Also Known As: XD405, XD 405, 1H-1,2,4-Triazole-1-ethanol, alpha-(2,4-difluorophenyl)-alpha-(1-(4-(3-pyridinyl)phenyl)ethenyl)-, dimethanesulfonate (salt), 2-(2,4-difluorophenyl)-3-(4-pyridin-3-ylphenyl)-1-(1,2,4-triazol-1-yl)but-3-en-2-ol; methanesulfonic acid, 2-(2,4-difluorophenyl)-3-(4-pyridin-3-ylphenyl)-1-(1,2,4-triazol-1-yl)but-3-en-2-ol;methanesulfonic acid
Technical Specifications
| Molecular Formula | C25H26F2N4O7S2 |
| Molecular Weight | 596.1211 g/mol |
| XLogP | 3.2275 |
| Topological Polar Surface Area (TPSA) | 189.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 596.1211 Da |
| Heavy Atoms | 40 |
| Complexity | 678.0 |
| SMILES | CS(=O)(=O)O.CS(=O)(=O)O.C=C(C1=CC=C(C=C1)C2=CN=CC=C2)C(CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)O |
| InChIKey | XPABPMCKKBWXJE-UHFFFAOYSA-N |
Chemical Property Profile of XD405
Property Insights of XD405
The XLogP value of 3.2275 indicates that XD405 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 189.0 Ų indicates high polarity, suggesting XD405 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, XD405 has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of XD405?
The CAS number of XD405 is 150525-63-6.
What is the molecular formula of XD405?
The molecular formula of XD405 is C25H26F2N4O7S2.
What is the molecular weight of XD405?
The molecular weight of XD405 is 596.1211 g/mol.
Where can I buy XD405?
You can request a quote for XD405 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for XD405?
Yes, CoreyChem provides custom synthesis services for XD405 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.