![(1S,6S)-6-fluoro-8,8-dimethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione structure](/static/products/5913/59137-86-9.webp)
(1S,6S)-6-fluoro-8,8-dimethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione
TL;DR: (1S,6S)-6-fluoro-8,8-dimethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione (CAS 59137-86-9) is a chemical compound with molecular formula C8H11FN2O2 and molecular weight 186.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,6S)-6-fluoro-8,8-dimethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione
Also Known As: (1S,6S)-6-fluoro-8,8-dimethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione
| Molecular Formula | C8H11FN2O2 |
|---|---|
| Molecular Weight | 186.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.08046 |
| Heavy Atoms | 13 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 59137-86-9 |
|---|---|
| SMILES | CC1(C[C@@]2([C@H]1NC(=O)NC2=O)F)C |
| InChIKey | XPELXRODJOTSPN-NVNXEXLPSA-N |
Product Overview
(1S,6S)-6-fluoro-8,8-dimethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione (CAS 59137-86-9), with molecular formula C8H11FN2O2 and molecular weight 186.08 g/mol. IUPAC: (1S,6S)-6-fluoro-8,8-dimethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione.
Chemical Property Profile of (1S,6S)-6-fluoro-8,8-dimethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione
Property Insights of (1S,6S)-6-fluoro-8,8-dimethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S,6S)-6-fluoro-8,8-dimethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione. With a topological polar surface area (TPSA) of 58.2 Ų, (1S,6S)-6-fluoro-8,8-dimethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1S,6S)-6-fluoro-8,8-dimethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione has 2 hydrogen bond donor(s) and 3 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 (1S,6S)-6-fluoro-8,8-dimethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione?
The CAS number of (1S,6S)-6-fluoro-8,8-dimethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione is 59137-86-9.
What is the molecular formula of (1S,6S)-6-fluoro-8,8-dimethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione?
The molecular formula of (1S,6S)-6-fluoro-8,8-dimethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione is C8H11FN2O2.
What is the molecular weight of (1S,6S)-6-fluoro-8,8-dimethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione?
The molecular weight of (1S,6S)-6-fluoro-8,8-dimethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione is 186.08 g/mol.
Where can I buy (1S,6S)-6-fluoro-8,8-dimethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione?
You can request a quote for (1S,6S)-6-fluoro-8,8-dimethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1S,6S)-6-fluoro-8,8-dimethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione?
Yes, KEHONG BIO provides custom synthesis services for (1S,6S)-6-fluoro-8,8-dimethyl-2,4-diazabicyclo[4.2.0]octane-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.