RefChem:331463
TL;DR: RefChem:331463 (CAS 31556-12-4) is a chemical compound with molecular formula C20H27ClFNO and molecular weight 351.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-1-(4-fluorophenyl)butan-1-one;hydrochloride
Also Known As: 4-(3-(4-Fluorobenzoyl)propyl)-4-azahomoadamantane hydrochloride, 4-(4-Azatricyclo(4.3.1.1(sup 3,8))undec-4-yl)-4'-fluorobutyrophenone hydrochloride, Butyrophenone, 4-(4-azatricyclo(4.3.1.1(sup 3,8))undec-4-yl)-4'-fluoro-, hydrochloride, 1-Butanone, 4-(4-azatricyclo(4.3.1.13,8)undec-4-yl)-1-(4-fluorophenyl)-, hydrochloride, Butyrophenone, 4-(4-azatricyclo(4.3.1.1(sup 3,8))undec-4-yl)
| Molecular Formula | C20H27ClFNO |
|---|---|
| Molecular Weight | 351.18 g/mol |
| LogP | 4.72 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.1765 |
| Heavy Atoms | 24 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 31556-12-4 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)N(C3)CCCC(=O)C4=CC=C(C=C4)F.Cl |
| InChIKey | FJQRCTWHDLSLHP-UHFFFAOYSA-N |
Product Overview
RefChem:331463 (CAS 31556-12-4), with molecular formula C20H27ClFNO and molecular weight 351.18 g/mol. IUPAC: 4-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-1-(4-fluorophenyl)butan-1-one;hydrochloride.
Chemical Property Profile of RefChem:331463
Property Insights of RefChem:331463
The XLogP value of 4.72 indicates that RefChem:331463 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:331463 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:331463 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:331463?
The CAS number of RefChem:331463 is 31556-12-4.
What is the molecular formula of RefChem:331463?
The molecular formula of RefChem:331463 is C20H27ClFNO.
What is the molecular weight of RefChem:331463?
The molecular weight of RefChem:331463 is 351.18 g/mol.
Where can I buy RefChem:331463?
You can request a quote for RefChem:331463 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331463?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331463 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.