Win 56590
TL;DR: Win 56590 (CAS 112270-39-0) is a chemical compound with molecular formula C22H30N2O3 and molecular weight 370.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[7-[4-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]heptyl]-3-methyl-1,2-oxazole
Also Known As: Compound III(S), Win 56590, 9-(cyanomethyl)-9-(methylthio)fluorene, 5-(7-(5-HYDRO-4-ETHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE, 5-[7-[4-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]heptyl]-3-methyl-1,2-oxazole
| Molecular Formula | C22H30N2O3 |
|---|---|
| Molecular Weight | 370.23 g/mol |
| LogP | 5.11042 |
| Topological Polar Surface Area | 56.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 370.22565 |
| Heavy Atoms | 27 |
| Complexity | 721.41406 |
Chemical Identifiers
| CAS Number | 112270-39-0 |
|---|---|
| SMILES | CC[C@H]1COC(=N1)C2=CC=C(C=C2)OCCCCCCCC3=CC(=NO3)C |
Product Overview
Win 56590 (CAS 112270-39-0), with molecular formula C22H30N2O3 and molecular weight 370.23 g/mol. IUPAC: 5-[7-[4-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]heptyl]-3-methyl-1,2-oxazole.
Chemical Property Profile of Win 56590
Property Insights of Win 56590
The XLogP value of 5.11042 indicates that Win 56590 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.85 Ų, Win 56590 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Win 56590 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Win 56590?
The CAS number of Win 56590 is 112270-39-0.
What is the molecular formula of Win 56590?
The molecular formula of Win 56590 is C22H30N2O3.
What is the molecular weight of Win 56590?
The molecular weight of Win 56590 is 370.23 g/mol.
Where can I buy Win 56590?
You can request a quote for Win 56590 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Win 56590?
Yes, KEHONG BIO provides custom synthesis services for Win 56590 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.