EX-A15450X
TL;DR: EX-A15450X (CAS 189954-65-2) is a chemical compound with molecular formula C18H16BrNO5S and molecular weight 436.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-bromo-2-pyridinyl)oxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one
Also Known As: EX-A15450X, L-778736, J1.203.143B, 3-((5-Bromopyridin-2-yl)oxy)-5,5-dimethyl-4-(4-(methylsulfonyl)phenyl)furan-2(5H)-one, 3-((5-Bromo-2-pyridinyl)oxy)-5,5-dimethyl-4-(4-(methylsulfonyl)phenyl)-2(5H)-furanone
| Molecular Formula | C18H16BrNO5S |
|---|---|
| Molecular Weight | 436.99 g/mol |
| LogP | 3.3731 |
| Topological Polar Surface Area | 82.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.99326 |
| Heavy Atoms | 26 |
| Complexity | 992.8819 |
Chemical Identifiers
| CAS Number | 189954-65-2 |
|---|---|
| SMILES | CC1(C(=C(C(=O)O1)OC2=NC=C(C=C2)Br)C3=CC=C(C=C3)S(=O)(=O)C)C |
Product Overview
EX-A15450X (CAS 189954-65-2), with molecular formula C18H16BrNO5S and molecular weight 436.99 g/mol. IUPAC: 3-[(5-bromo-2-pyridinyl)oxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one.
Chemical Property Profile of EX-A15450X
Property Insights of EX-A15450X
The XLogP value of 3.3731 indicates that EX-A15450X is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.56 Ų falls within the moderate polarity range, balancing permeability and solubility for EX-A15450X. Following Lipinski's Rule of Five, EX-A15450X has 0 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 EX-A15450X?
The CAS number of EX-A15450X is 189954-65-2.
What is the molecular formula of EX-A15450X?
The molecular formula of EX-A15450X is C18H16BrNO5S.
What is the molecular weight of EX-A15450X?
The molecular weight of EX-A15450X is 436.99 g/mol.
Where can I buy EX-A15450X?
You can request a quote for EX-A15450X directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EX-A15450X?
Yes, KEHONG BIO provides custom synthesis services for EX-A15450X and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.