RefChem:1054389
TL;DR: RefChem:1054389 (CAS 15997-72-5) is a chemical compound with molecular formula C18H25ClFNO and molecular weight 325.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-1-(4-fluorophenyl)butan-1-one;hydrochloride
Also Known As: p-Fluoro-(4-hexahydroisoindolinyl)butyrophenone hydrochloride, Butyrophenone, 4'-fluoro-4-hexahydroisoindolinyl-, hydrochloride, 1-(4-Fluorophenyl)-4-(octahydro-2H-isoindol-2-yl)butan-1-one--hydrogen chloride (1/1), 4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-1-(4-fluorophenyl)butan-1-one hydrochloride, RefChem:1054389
| Molecular Formula | C18H25ClFNO |
|---|---|
| Molecular Weight | 325.16 g/mol |
| LogP | 4.3324 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.16086 |
| Heavy Atoms | 22 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 15997-72-5 |
|---|---|
| SMILES | C1CCC2CN(CC2C1)CCCC(=O)C3=CC=C(C=C3)F.Cl |
| InChIKey | KDMYNOPFOWYAAC-UHFFFAOYSA-N |
Product Overview
RefChem:1054389 (CAS 15997-72-5), with molecular formula C18H25ClFNO and molecular weight 325.16 g/mol. IUPAC: 4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-1-(4-fluorophenyl)butan-1-one;hydrochloride.
Chemical Property Profile of RefChem:1054389
Property Insights of RefChem:1054389
The XLogP value of 4.3324 indicates that RefChem:1054389 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, RefChem:1054389 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1054389 has 1 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:1054389?
The CAS number of RefChem:1054389 is 15997-72-5.
What is the molecular formula of RefChem:1054389?
The molecular formula of RefChem:1054389 is C18H25ClFNO.
What is the molecular weight of RefChem:1054389?
The molecular weight of RefChem:1054389 is 325.16 g/mol.
Where can I buy RefChem:1054389?
You can request a quote for RefChem:1054389 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054389?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054389 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.