Win 36117
TL;DR: Win 36117 (CAS 52178-87-7) is a chemical compound with molecular formula C13H14F2O3 and molecular weight 256.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2,2-difluorocyclopropyl)phenoxy]-2-methylpropanoic acid
Also Known As: Win 36117, 2-[4-(2,2-difluorocyclopropyl)phenoxy]-2-methylpropanoic acid, 2-(4-(2,2-Difluorocyclopropyl)phenoxy)-2-methylpropanoic acid, 2-[4-(2,2-Difluorocyclopropyl)phenoxy]isobutyric acid, Propanoic acid, 2-(4-(2,2-difluorocyclopropyl)phenoxy)-2-methyl-
| Molecular Formula | C13H14F2O3 |
|---|---|
| Molecular Weight | 256.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.0911 |
| Heavy Atoms | 18 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 52178-87-7 |
|---|---|
| SMILES | CC(C)(C(=O)O)OC1=CC=C(C=C1)C2CC2(F)F |
| InChIKey | MBJIUBKPFBUIDG-UHFFFAOYSA-N |
Product Overview
Win 36117 (CAS 52178-87-7), with molecular formula C13H14F2O3 and molecular weight 256.09 g/mol. IUPAC: 2-[4-(2,2-difluorocyclopropyl)phenoxy]-2-methylpropanoic acid.
Chemical Property Profile of Win 36117
Property Insights of Win 36117
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Win 36117. With a topological polar surface area (TPSA) of 46.5 Ų, Win 36117 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Win 36117 has 1 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 36117?
The CAS number of Win 36117 is 52178-87-7.
What is the molecular formula of Win 36117?
The molecular formula of Win 36117 is C13H14F2O3.
What is the molecular weight of Win 36117?
The molecular weight of Win 36117 is 256.09 g/mol.
Where can I buy Win 36117?
You can request a quote for Win 36117 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Win 36117?
Yes, KEHONG BIO provides custom synthesis services for Win 36117 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.