RefChem:331410
TL;DR: RefChem:331410 (CAS 14200-12-5) is a chemical compound with molecular formula C20H23ClFNO and molecular weight 347.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-azoniatricyclo[5.2.2.02,6]undeca-3,8-dien-4-yl)-1-(4-fluorophenyl)butan-1-one chloride
Also Known As: Butyrophenone, 4'-fluoro-4-(3a,4,7,7a-tetrahydro-4,7-ethanoisoindolin-2-yl)-, hydrochloride, 1-Butanone, 1-(4-fluorophenyl)-4-(1,3,3a,4,7,7a-hexahydro-4,7-ethano-2H-isoindol-2-yl)-, HCl, 4'-Fluoro-4-(3a,4,7,7a-tetrahydro-4,7-ethanoisoindolin-2-yl)butyrophenone hydrochloride, 2-[4-(4-Fluorophenyl)-4-oxobutyl]-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindol-2-ium chloride, RefChem:331410
| Molecular Formula | C20H23ClFNO |
|---|---|
| Molecular Weight | 347.15 g/mol |
| LogP | 0.72 |
| Topological Polar Surface Area | 20.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.14523 |
| Heavy Atoms | 24 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 14200-12-5 |
|---|---|
| SMILES | C1CC2C=CC1C3C2C=[N+](C3)CCCC(=O)C4=CC=C(C=C4)F.[Cl-] |
| InChIKey | PCMUPTBKPLQIGK-UHFFFAOYSA-M |
Product Overview
RefChem:331410 (CAS 14200-12-5), with molecular formula C20H23ClFNO and molecular weight 347.15 g/mol. IUPAC: 4-(4-azoniatricyclo[5.2.2.02,6]undeca-3,8-dien-4-yl)-1-(4-fluorophenyl)butan-1-one chloride.
Chemical Property Profile of RefChem:331410
Property Insights of RefChem:331410
The XLogP value of 0.72 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:331410. With a topological polar surface area (TPSA) of 20.1 Ų, RefChem:331410 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:331410 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 RefChem:331410?
The CAS number of RefChem:331410 is 14200-12-5.
What is the molecular formula of RefChem:331410?
The molecular formula of RefChem:331410 is C20H23ClFNO.
What is the molecular weight of RefChem:331410?
The molecular weight of RefChem:331410 is 347.15 g/mol.
Where can I buy RefChem:331410?
You can request a quote for RefChem:331410 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331410?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331410 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.