RefChem:331402
TL;DR: RefChem:331402 (CAS 274-47-5) is a chemical compound with molecular formula C23H25FN2O and molecular weight 364.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-4-(9-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-3-yl)butan-1-one
Also Known As: Butyrophenone, 4'-fluoro-4-(1,4,5,6-tetrahydro-9-methylazepino(4,5-b)indol-3(2H)-yl)-, 1-(4-fluorophenyl)-4-(9-methyl-1,4,5,6-tetrahydroazepino[4,5-b]indol-3(2h)-yl)butan-1-one, 4'-Fluoro-4-(1,4,5,6-tetrahydro-9-methylazepino(4,5-b)indol-3(2H)-yl)butyrophenone, 1-(4-fluorophenyl)-4-(9-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-3-yl)butan-1-one, 1-Butanone,1-(4-fluorophenyl)-4-(1,4,5,6-tetrahydro-9-methylazepino[4,5-b]indol-3(2H)-yl)-
| Molecular Formula | C23H25FN2O |
|---|---|
| Molecular Weight | 364.20 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 36.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.1951 |
| Heavy Atoms | 27 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 274-47-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC3=C2CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F |
| InChIKey | OONUSIUXUQOPHJ-UHFFFAOYSA-N |
Product Overview
RefChem:331402 (CAS 274-47-5), with molecular formula C23H25FN2O and molecular weight 364.20 g/mol. IUPAC: 1-(4-fluorophenyl)-4-(9-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-3-yl)butan-1-one.
Chemical Property Profile of RefChem:331402
Property Insights of RefChem:331402
The XLogP value of 4.6 indicates that RefChem:331402 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:331402 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:331402 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:331402?
The CAS number of RefChem:331402 is 274-47-5.
What is the molecular formula of RefChem:331402?
The molecular formula of RefChem:331402 is C23H25FN2O.
What is the molecular weight of RefChem:331402?
The molecular weight of RefChem:331402 is 364.20 g/mol.
Where can I buy RefChem:331402?
You can request a quote for RefChem:331402 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331402?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331402 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.