RefChem:331403
TL;DR: RefChem:331403 (CAS 24441-77-8) is a chemical compound with molecular formula C24H27FN2O2 and molecular weight 394.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-4-(10-methoxy-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-3-yl)butan-1-one
Also Known As: Butyrophenone, 4'-fluoro-4-(10-methoxy-6-methyl-1,4,5,6-tetrahydroazepino(4,5-b)indol-3(2H)-yl)-, 4'-Fluoro-4-(10-methoxy-6-methyl-1,4,5,6-tetrahydroazepino(4,5-b)indol-3(2H)-yl)butyrophenone, 1-(4-fluorophenyl)-4-(10-methoxy-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-3-yl)butan-1-one, 1-(4-fluoro-phenyl)-4-(10-methoxy-6-methyl-1,4,5,6-tetrahydro-2H-azepino[4,5-b]indol-3-yl)-butan-1-one, 1-(4-fluorophenyl)-4-(10-methoxy-6-methyl-1,4,5,6-tetrahydroazepino[4,5-b]indol-3(2H)-yl)butan-1-one
| Molecular Formula | C24H27FN2O2 |
|---|---|
| Molecular Weight | 394.21 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.20566 |
| Heavy Atoms | 29 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 24441-77-8 |
|---|---|
| SMILES | CN1C2=C(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C4=C1C=CC=C4OC |
| InChIKey | JYMLYFYFQOJKFX-UHFFFAOYSA-N |
Product Overview
RefChem:331403 (CAS 24441-77-8), with molecular formula C24H27FN2O2 and molecular weight 394.21 g/mol. IUPAC: 1-(4-fluorophenyl)-4-(10-methoxy-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-3-yl)butan-1-one.
Chemical Property Profile of RefChem:331403
Property Insights of RefChem:331403
The XLogP value of 4.1 indicates that RefChem:331403 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.5 Ų, RefChem:331403 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:331403 has 0 hydrogen bond donor(s) and 4 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:331403?
The CAS number of RefChem:331403 is 24441-77-8.
What is the molecular formula of RefChem:331403?
The molecular formula of RefChem:331403 is C24H27FN2O2.
What is the molecular weight of RefChem:331403?
The molecular weight of RefChem:331403 is 394.21 g/mol.
Where can I buy RefChem:331403?
You can request a quote for RefChem:331403 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331403?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331403 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.