RefChem:207168
TL;DR: RefChem:207168 (CAS 136087-84-8) is a chemical compound with molecular formula C12H9FN2O5 and molecular weight 280.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxylic acid
Also Known As: (2S,4S)-6-Fluoro-2',5'-dioxospiro[chroman-4,4'-imidazolidine]-2-carboxylic acid, (2S,4S)-6-Fluoro-2',5'-dioxospiro[chroman-4,4'-imidazolidine]-2-carboxylicacid, (2S)-6-fluoro-2',5'-dioxo-spiro[chroman-4,4'-imidazolidine]-2-carboxylic Acid, (2S,4S)-6-Fluoro-2 ,5 -dioxospiro[chroman-4,4 -imidazolidine]-2-carboxylic acid, (2S,4S)-6-fluoro-2',5'-dioxospiro[chromane-4,4'-imidazolidine]-2-carboxylic acid
| Molecular Formula | C12H9FN2O5 |
|---|---|
| Molecular Weight | 280.05 g/mol |
| LogP | 0.0961 |
| Topological Polar Surface Area | 104.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 280.04956 |
| Heavy Atoms | 20 |
| Complexity | 646.7349 |
Chemical Identifiers
| CAS Number | 136087-84-8 |
|---|---|
| SMILES | C1[C@H](OC2=C([C@]13C(=O)NC(=O)N3)C=C(C=C2)F)C(=O)O |
Product Overview
RefChem:207168 (CAS 136087-84-8), with molecular formula C12H9FN2O5 and molecular weight 280.05 g/mol. IUPAC: (2S,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxylic acid.
Chemical Property Profile of RefChem:207168
Property Insights of RefChem:207168
The XLogP value of 0.0961 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:207168. The TPSA of 104.73 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:207168. Following Lipinski's Rule of Five, RefChem:207168 has 3 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 RefChem:207168?
The CAS number of RefChem:207168 is 136087-84-8.
What is the molecular formula of RefChem:207168?
The molecular formula of RefChem:207168 is C12H9FN2O5.
What is the molecular weight of RefChem:207168?
The molecular weight of RefChem:207168 is 280.05 g/mol.
Where can I buy RefChem:207168?
You can request a quote for RefChem:207168 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:207168?
Yes, KEHONG BIO provides custom synthesis services for RefChem:207168 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.