RU 39568
TL;DR: RU 39568 (CAS 98444-62-3) is a chemical compound with molecular formula C27H28FNO5 and molecular weight 465.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-[(S)-cyano-(4-fluoro-3-phenoxyphenyl)methyl] (1R,3S)-3-[(Z)-3-butoxy-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
Also Known As: RU 39568, [(S)-cyano-(4-fluoro-3-phenoxyphenyl)methyl] (1R,3S)-3-[(Z)-3-butoxy-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate, Cyclopropanecarboxylic acid, 3-((1Z)-3-butoxy-3-oxo-1-propenyl)-2,2-dimethyl-, (S)-cyano(4-fluoro-3-phenoxyphenyl)methyl ester, (1R,3S)-, Cyclopropanecarboxylic acid, 3-(3-butoxy-3-oxo-1-propenyl)-2,2-dimethyl-, cyano(4-fluoro-3-phenoxyphenyl)methyl ester, (1R-(1 alpha(S*),3alpha(Z)))-
| Molecular Formula | C27H28FNO5 |
|---|---|
| Molecular Weight | 465.20 g/mol |
| LogP | 5.89758 |
| Topological Polar Surface Area | 85.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 465.19516 |
| Heavy Atoms | 34 |
| Complexity | 1089.9445 |
Chemical Identifiers
| CAS Number | 98444-62-3 |
|---|---|
| SMILES | CCCCOC(=O)/C=C\[C@H]1[C@H](C1(C)C)C(=O)O[C@H](C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3 |
Product Overview
RU 39568 (CAS 98444-62-3), with molecular formula C27H28FNO5 and molecular weight 465.20 g/mol. IUPAC: trans-[(S)-cyano-(4-fluoro-3-phenoxyphenyl)methyl] (1R,3S)-3-[(Z)-3-butoxy-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate.
Chemical Property Profile of RU 39568
Property Insights of RU 39568
The XLogP value of 5.89758 indicates that RU 39568 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.62 Ų falls within the moderate polarity range, balancing permeability and solubility for RU 39568. Following Lipinski's Rule of Five, RU 39568 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RU 39568?
The CAS number of RU 39568 is 98444-62-3.
What is the molecular formula of RU 39568?
The molecular formula of RU 39568 is C27H28FNO5.
What is the molecular weight of RU 39568?
The molecular weight of RU 39568 is 465.20 g/mol.
Where can I buy RU 39568?
You can request a quote for RU 39568 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RU 39568?
Yes, KEHONG BIO provides custom synthesis services for RU 39568 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.