RefChem:331478
TL;DR: RefChem:331478 (CAS 15997-69-0) is a chemical compound with molecular formula C20H29ClFNO and molecular weight 353.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-4-(1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl)butan-1-one chloride
Also Known As: 3-(3-(p-Fluorobenzoyl)propyl)-d-camphidine hydrochloride, p-Fluoro-4-(1,8,8-trimethyl-3-azabicyclo(3.2.1)octyl)butyrophenone hydrochloride, Butyrophenone, p'-fluoro-4-(1,8,8-trimethyl-3-azabicyclo(3.2.1)octyl)-, hydrochloride, 3-(3-(p-Fluorobenzoyl)propyl)-1,8,8-trimethyl-3-azabicyclo(3.2.1)octane hydrochloride, 1-(4-Fluorophenyl)-4-(1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl)butan-1-one chloride
| Molecular Formula | C20H29ClFNO |
|---|---|
| Molecular Weight | 353.19 g/mol |
| LogP | 0.13 |
| Topological Polar Surface Area | 21.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.19217 |
| Heavy Atoms | 24 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 15997-69-0 |
|---|---|
| SMILES | CC1(C2CCC1(C[NH+](C2)CCCC(=O)C3=CC=C(C=C3)F)C)C.[Cl-] |
| InChIKey | RLSBEHLDSHDLLU-UHFFFAOYSA-N |
Product Overview
RefChem:331478 (CAS 15997-69-0), with molecular formula C20H29ClFNO and molecular weight 353.19 g/mol. IUPAC: 1-(4-fluorophenyl)-4-(1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl)butan-1-one chloride.
Chemical Property Profile of RefChem:331478
Property Insights of RefChem:331478
The XLogP value of 0.13 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:331478. With a topological polar surface area (TPSA) of 21.5 Ų, RefChem:331478 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:331478 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:331478?
The CAS number of RefChem:331478 is 15997-69-0.
What is the molecular formula of RefChem:331478?
The molecular formula of RefChem:331478 is C20H29ClFNO.
What is the molecular weight of RefChem:331478?
The molecular weight of RefChem:331478 is 353.19 g/mol.
Where can I buy RefChem:331478?
You can request a quote for RefChem:331478 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331478?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331478 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.