RefChem:228851
TL;DR: RefChem:228851 (CAS 23712-07-4) is a chemical compound with molecular formula C22H23FN2O and molecular weight 350.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-4-(2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-3-yl)butan-1-one
Also Known As: 4'-Fluoro-4-(1,4,5,6-tetrahydroazepino(4,5-b)indol-3(2H)-yl)butyrophenone, 1-Butanone, 1-(4-fluorophenyl)-4-(1,4,5,6-tetrahydroazepino(4,5-b)indol-3(2H)-yl)-, BUTYROPHENONE, 4'-FLUORO-4-(1,4,5,6-TETRAHYDROAZEPINO(4,5-b)INDOL-3(2H)-YL)-, 1-4-(1,4,5,6-tetrahydroazepino[4,5-b]indol-3 -1-butanone, 1- -4-(1,4,5,6-tetrahydroazepino[4,5-b]indol-3 -1-butanone
| Molecular Formula | C22H23FN2O |
|---|---|
| Molecular Weight | 350.18 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 36.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.17944 |
| Heavy Atoms | 26 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 23712-07-4 |
|---|---|
| SMILES | C1CN(CCC2=C1C3=CC=CC=C3N2)CCCC(=O)C4=CC=C(C=C4)F |
| InChIKey | VLOZTRJQZRGNFV-UHFFFAOYSA-N |
Product Overview
RefChem:228851 (CAS 23712-07-4), with molecular formula C22H23FN2O and molecular weight 350.18 g/mol. IUPAC: 1-(4-fluorophenyl)-4-(2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-3-yl)butan-1-one.
Chemical Property Profile of RefChem:228851
Property Insights of RefChem:228851
The XLogP value of 4.2 indicates that RefChem:228851 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.1 Ų, RefChem:228851 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:228851 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:228851?
The CAS number of RefChem:228851 is 23712-07-4.
What is the molecular formula of RefChem:228851?
The molecular formula of RefChem:228851 is C22H23FN2O.
What is the molecular weight of RefChem:228851?
The molecular weight of RefChem:228851 is 350.18 g/mol.
Where can I buy RefChem:228851?
You can request a quote for RefChem:228851 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:228851?
Yes, KEHONG BIO provides custom synthesis services for RefChem:228851 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.