C14-H12-F-N-O3
TL;DR: C14-H12-F-N-O3 (CAS 30627-44-2) is a chemical compound with molecular formula C14H12FNO3 and molecular weight 261.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,4R,7S,7aR)-2-(3-fluorophenyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
Also Known As: N-(m-Fluorophenyl)-7-oxabicyclo(2.2.1)heptane-2,3-dicarboximide, (1beta,4beta)-N-(m-Fluorophenyl)-7-oxabicyclo[2.2.1]heptane-2beta,3beta-dicarbimide, (1R,2S,6R,7S)-4-(3-fluorophenyl)-10-oxa-4-azatricyclo[5.2.1.02,6]decane-3,5-dione, 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboximide, N-(m-fluorophenyl)-, exo-(Z)-, 7-Oxabicyclo[2.2.1]heptane-2,3-dicarboximide, N-(m-fluorophenyl)-, cis-exo-
| Molecular Formula | C14H12FNO3 |
|---|---|
| Molecular Weight | 261.08 g/mol |
| LogP | 1.4925 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.0801 |
| Heavy Atoms | 19 |
| Complexity | 559.8087 |
Chemical Identifiers
| CAS Number | 30627-44-2 |
|---|---|
| SMILES | C1C[C@H]2[C@H]3[C@@H]([C@@H]1O2)C(=O)N(C3=O)C4=CC(=CC=C4)F |
Product Overview
C14-H12-F-N-O3 (CAS 30627-44-2), with molecular formula C14H12FNO3 and molecular weight 261.08 g/mol. IUPAC: (3aS,4R,7S,7aR)-2-(3-fluorophenyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione.
Chemical Property Profile of C14-H12-F-N-O3
Property Insights of C14-H12-F-N-O3
The XLogP value of 1.4925 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C14-H12-F-N-O3. With a topological polar surface area (TPSA) of 46.61 Ų, C14-H12-F-N-O3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C14-H12-F-N-O3 has 0 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 C14-H12-F-N-O3?
The CAS number of C14-H12-F-N-O3 is 30627-44-2.
What is the molecular formula of C14-H12-F-N-O3?
The molecular formula of C14-H12-F-N-O3 is C14H12FNO3.
What is the molecular weight of C14-H12-F-N-O3?
The molecular weight of C14-H12-F-N-O3 is 261.08 g/mol.
Where can I buy C14-H12-F-N-O3?
You can request a quote for C14-H12-F-N-O3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C14-H12-F-N-O3?
Yes, KEHONG BIO provides custom synthesis services for C14-H12-F-N-O3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.