C21H20F2N2O.ClH
TL;DR: C21H20F2N2O.ClH (CAS 31540-62-2) is a chemical compound with molecular formula C21H21ClF2N2O and molecular weight 390.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-4-(8-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-2-ium-2-yl)butan-1-one chloride
Also Known As: 4'-Fluoro-4-(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido(4,3-b)indol-2-yl)butyrophenone hydrochloride, 1-(4-fluorophenyl)-4-(8-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-2-ium-2-yl)butan-1-one;chloride, Butyrophenone, 4'-fluoro-4-(8-fluoro-2,3,4,5-tetrahydro-1H-pyrido(4,3-b)indol-2-yl)-hydrochloride, BUTYROPHENONE, 4'-FLUORO-4-(8-FLUORO-2,3,4,5-TETRAHYDRO-1H-PYRIDO(4,3-b)INDOL-2-, 1-(4-fluorophenyl)-4-(8-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-2-ium-2-yl)butan-1-one chloride
| Molecular Formula | C21H21ClF2N2O |
|---|---|
| Molecular Weight | 390.13 g/mol |
| LogP | 0.05 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.13104 |
| Heavy Atoms | 27 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 31540-62-2 |
|---|---|
| SMILES | C1C[NH+](CC2=C1NC3=C2C=C(C=C3)F)CCCC(=O)C4=CC=C(C=C4)F.[Cl-] |
| InChIKey | LGNFRLBPCVLGOB-UHFFFAOYSA-N |
Product Overview
C21H20F2N2O.ClH (CAS 31540-62-2), with molecular formula C21H21ClF2N2O and molecular weight 390.13 g/mol. IUPAC: 1-(4-fluorophenyl)-4-(8-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-2-ium-2-yl)butan-1-one chloride.
Chemical Property Profile of C21H20F2N2O.ClH
Property Insights of C21H20F2N2O.ClH
The XLogP value of 0.05 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C21H20F2N2O.ClH. With a topological polar surface area (TPSA) of 37.3 Ų, C21H20F2N2O.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C21H20F2N2O.ClH 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 C21H20F2N2O.ClH?
The CAS number of C21H20F2N2O.ClH is 31540-62-2.
What is the molecular formula of C21H20F2N2O.ClH?
The molecular formula of C21H20F2N2O.ClH is C21H21ClF2N2O.
What is the molecular weight of C21H20F2N2O.ClH?
The molecular weight of C21H20F2N2O.ClH is 390.13 g/mol.
Where can I buy C21H20F2N2O.ClH?
You can request a quote for C21H20F2N2O.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H20F2N2O.ClH?
Yes, KEHONG BIO provides custom synthesis services for C21H20F2N2O.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.