R-125690
TL;DR: R-125690 (CAS 866761-71-9) is a chemical compound with molecular formula C18H20FNO3S and molecular weight 349.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-[(4R)-1-[(1S)-2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]acetic acid
Also Known As: R-125690, R-138727, (4R,1S)-, Acetic acid, 2-((4R)-1-((1S)-2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl)-4-mercapto-3-piperidinylidene)-, (2Z)-, (2Z)-2-[(4R)-1-[(1S)-2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]acetic acid, (2Z)-2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxo-ethyl]-4-sulfanyl-3-piperidylidene]acetic Acid
| Molecular Formula | C18H20FNO3S |
|---|---|
| Molecular Weight | 349.11 g/mol |
| LogP | 2.861 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.1148 |
| Heavy Atoms | 24 |
| Complexity | 686.5964 |
Chemical Identifiers
| CAS Number | 866761-71-9 |
|---|---|
| SMILES | C1CN(C/C(=C/C(=O)O)/[C@@H]1S)[C@@H](C2=CC=CC=C2F)C(=O)C3CC3 |
Product Overview
R-125690 (CAS 866761-71-9), with molecular formula C18H20FNO3S and molecular weight 349.11 g/mol. IUPAC: (2Z)-2-[(4R)-1-[(1S)-2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]acetic acid.
Chemical Property Profile of R-125690
Property Insights of R-125690
The XLogP value of 2.861 suggests moderate lipophilicity, balancing water solubility and membrane permeability for R-125690. With a topological polar surface area (TPSA) of 57.61 Ų, R-125690 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, R-125690 has 2 hydrogen bond donor(s) and 4 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 R-125690?
The CAS number of R-125690 is 866761-71-9.
What is the molecular formula of R-125690?
The molecular formula of R-125690 is C18H20FNO3S.
What is the molecular weight of R-125690?
The molecular weight of R-125690 is 349.11 g/mol.
Where can I buy R-125690?
You can request a quote for R-125690 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for R-125690?
Yes, KEHONG BIO provides custom synthesis services for R-125690 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.