RefChem:1080519
TL;DR: RefChem:1080519 (CAS 23901-26-0) is a chemical compound with molecular formula C23H26ClFN2O2 and molecular weight 416.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-4-(10-methoxy-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-3-ium-3-yl)butan-1-one chloride
Also Known As: Butyrophenone, 4'-fluoro-4-(10-methoxy-1,4,5,6-tetrahydroazepino(4,5-b)indol-3(2H)-yl)-, hydrochloride, 1-(4-fluorophenyl)-4-(10-methoxy-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-3-ium-3-yl)butan-1-one chloride, BUTYROPHENONE, 4'-FLUORO-4-(10-METHOXY-1,4,5,6-TETRAHYDROAZEPINO(4,5-b)INDOL-3(2, 1-Butanone, 1-(4-fluorophenyl)-4-(1,4,5,6-tetrahydro-10-methoxyazepino[4,5-b]indol-3(2H)-yl)-, monohydrochloride, Butyrophenone, 4'-fluoro-4-(1,4,5,6-tetrahydro-10-methoxyazepino[4,5-b]indol-3(2H)-yl)-, monohydrochloride
| Molecular Formula | C23H26ClFN2O2 |
|---|---|
| Molecular Weight | 416.17 g/mol |
| LogP | -0.03 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.1667 |
| Heavy Atoms | 29 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 23901-26-0 |
|---|---|
| SMILES | COC1=CC=CC2=C1C3=C(N2)CC[NH+](CC3)CCCC(=O)C4=CC=C(C=C4)F.[Cl-] |
| InChIKey | OUNSUSSSSLILEX-UHFFFAOYSA-N |
Product Overview
RefChem:1080519 (CAS 23901-26-0), with molecular formula C23H26ClFN2O2 and molecular weight 416.17 g/mol. IUPAC: 1-(4-fluorophenyl)-4-(10-methoxy-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-3-ium-3-yl)butan-1-one chloride.
Chemical Property Profile of RefChem:1080519
Property Insights of RefChem:1080519
The XLogP value of -0.03 indicates that RefChem:1080519 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.5 Ų, RefChem:1080519 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1080519 has 2 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:1080519?
The CAS number of RefChem:1080519 is 23901-26-0.
What is the molecular formula of RefChem:1080519?
The molecular formula of RefChem:1080519 is C23H26ClFN2O2.
What is the molecular weight of RefChem:1080519?
The molecular weight of RefChem:1080519 is 416.17 g/mol.
Where can I buy RefChem:1080519?
You can request a quote for RefChem:1080519 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1080519?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1080519 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.