Compound III(S)
TL;DR: Compound III(S) (CAS 112270-40-3) 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-(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, 5-[7-[4-(4-ethyl-4,5-dihydrooxazol-2-yl)phenoxy]heptyl]-3-methyl-isoxazole, 5-[7-[4-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)phenoxy]heptyl]-3-methyl-1,2-oxazole, 5-(7-(4-(4-Ethyl-4,5-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole
| Molecular Formula | C22H30N2O3 |
|---|---|
| Molecular Weight | 370.23 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 56.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 370.22565 |
| Heavy Atoms | 27 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 112270-40-3 |
|---|---|
| SMILES | CCC1COC(=N1)C2=CC=C(C=C2)OCCCCCCCC3=CC(=NO3)C |
| InChIKey | PZDSRPCFNWOUFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Compound III(S) (CAS 112270-40-3), with molecular formula C22H30N2O3 and molecular weight 370.23 g/mol. IUPAC: 5-[7-[4-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)phenoxy]heptyl]-3-methyl-1,2-oxazole.
Chemical Property Profile of Compound III(S)
Property Insights of Compound III(S)
The XLogP value of 5.4 indicates that Compound III(S) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.9 Ų, Compound III(S) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Compound III(S) 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 Compound III(S)?
The CAS number of Compound III(S) is 112270-40-3.
What is the molecular formula of Compound III(S)?
The molecular formula of Compound III(S) is C22H30N2O3.
What is the molecular weight of Compound III(S)?
The molecular weight of Compound III(S) is 370.23 g/mol.
Where can I buy Compound III(S)?
You can request a quote for Compound III(S) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Compound III(S)?
Yes, KEHONG BIO provides custom synthesis services for Compound III(S) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.