RefChem:1080520
TL;DR: RefChem:1080520 (CAS 23901-25-9) is a chemical compound with molecular formula C23H26ClFN2O and molecular weight 400.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-4-(6-methyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-3-ium-3-yl)butan-1-one chloride
Also Known As: Butyrophenone, 4'-fluoro-4-(6-methyl-1,4,5,6-tetrahydroazepino(4,5-b)indol-3(2H)-yl)-, hydrochloride, 1-(4-fluorophenyl)-4-(6-methyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-3-ium-3-yl)butan-1-one chloride, BUTYROPHENONE, 4'-FLUORO-4-(6-METHYL-1,4,5,6-TETRAHYDROAZEPINO(4,5-b)INDOL-3(2H), 1-Butanone, 1-(4-fluorophenyl)-4-(1,4,5,6-tetrahydro-6-methylazepino[4,5-b]indol-3(2H)-yl)-, monohydrochloride, Butyrophenone, 4'-fluoro-4-(1,4,5,6-tetrahydro-6-methylazepino[4,5-b]indol-3(2H)-yl)-, monohydrochloride
| Molecular Formula | C23H26ClFN2O |
|---|---|
| Molecular Weight | 400.17 g/mol |
| LogP | -0.03 |
| Topological Polar Surface Area | 26.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.17178 |
| Heavy Atoms | 28 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 23901-25-9 |
|---|---|
| SMILES | CN1C2=C(CC[NH+](CC2)CCCC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C41.[Cl-] |
| InChIKey | MGSXEOGSPHIRRK-UHFFFAOYSA-N |
Product Overview
RefChem:1080520 (CAS 23901-25-9), with molecular formula C23H26ClFN2O and molecular weight 400.17 g/mol. IUPAC: 1-(4-fluorophenyl)-4-(6-methyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-3-ium-3-yl)butan-1-one chloride.
Chemical Property Profile of RefChem:1080520
Property Insights of RefChem:1080520
The XLogP value of -0.03 indicates that RefChem:1080520 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.4 Ų, RefChem:1080520 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1080520 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:1080520?
The CAS number of RefChem:1080520 is 23901-25-9.
What is the molecular formula of RefChem:1080520?
The molecular formula of RefChem:1080520 is C23H26ClFN2O.
What is the molecular weight of RefChem:1080520?
The molecular weight of RefChem:1080520 is 400.17 g/mol.
Where can I buy RefChem:1080520?
You can request a quote for RefChem:1080520 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1080520?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1080520 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.