Win 54954
TL;DR: Win 54954 (CAS 107355-86-2) is a chemical compound with molecular formula C18H20Cl2N2O3 and molecular weight 382.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[5-[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
Also Known As: Win 54954, EX-A5700, Isoxazole, 5-(3-iodopropyl)-3-methyl-, 5-(5-(2,6-Dichloro-4-(4,5-Dihydro-2-Oxazoly)phenoxy)pentyl)-3-Methyl Isoxazole, 5-(5-(2,6-Dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole
| Molecular Formula | C18H20Cl2N2O3 |
|---|---|
| Molecular Weight | 382.09 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 56.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 382.08508 |
| Heavy Atoms | 25 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 107355-86-2 |
|---|---|
| SMILES | CC1=NOC(=C1)CCCCCOC2=C(C=C(C=C2Cl)C3=NCCO3)Cl |
| InChIKey | JJDHAOLOHQTGMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Win 54954 (CAS 107355-86-2), with molecular formula C18H20Cl2N2O3 and molecular weight 382.09 g/mol. IUPAC: 5-[5-[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole.
Chemical Property Profile of Win 54954
Property Insights of Win 54954
The XLogP value of 4.6 indicates that Win 54954 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.9 Ų, Win 54954 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Win 54954 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 Win 54954?
The CAS number of Win 54954 is 107355-86-2.
What is the molecular formula of Win 54954?
The molecular formula of Win 54954 is C18H20Cl2N2O3.
What is the molecular weight of Win 54954?
The molecular weight of Win 54954 is 382.09 g/mol.
Where can I buy Win 54954?
You can request a quote for Win 54954 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Win 54954?
Yes, KEHONG BIO provides custom synthesis services for Win 54954 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.