C23H27F2NO.ClH
TL;DR: C23H27F2NO.ClH (CAS 36771-99-0) is a chemical compound with molecular formula C23H28ClF2NO and molecular weight 407.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-fluorophenyl)cyclohexyl]-[4-(4-fluorophenyl)-4-oxobutyl]-methylazanium chloride
Also Known As: Butyrophenone, 4'-fluoro-4-(N-(4-(p-fluorophenyl)cyclohexyl)-N-methylamino)-, hydrochloride, (E)-, [4-(4-fluorophenyl)cyclohexyl]-[4-(4-fluorophenyl)-4-oxobutyl]-methylazanium chloride, Butyrophenone, 4'-fluoro-4-(N-(4-(p-fluorophenyl)cyclohexyl)-N-methylamino)-, hydrochloride, (Z)-, 1-Butanone, 1-(4-fluorophenyl)-4-[[4-(4-fluorophenyl)cyclohexyl]methylamino]-, hydrochloride, cis-, 1-Butanone, 1-(4-fluorophenyl)-4-[[4-(4-fluorophenyl)cyclohexyl]methylamino]-, hydrochloride, trans-
| Molecular Formula | C23H28ClF2NO |
|---|---|
| Molecular Weight | 407.18 g/mol |
| LogP | 1.17 |
| Topological Polar Surface Area | 21.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 407.18274 |
| Heavy Atoms | 28 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 36771-99-0 |
|---|---|
| SMILES | C[NH+](CCCC(=O)C1=CC=C(C=C1)F)C2CCC(CC2)C3=CC=C(C=C3)F.[Cl-] |
| InChIKey | SWVKCNZITGUWKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
C23H27F2NO.ClH (CAS 36771-99-0), with molecular formula C23H28ClF2NO and molecular weight 407.18 g/mol. IUPAC: [4-(4-fluorophenyl)cyclohexyl]-[4-(4-fluorophenyl)-4-oxobutyl]-methylazanium chloride.
Chemical Property Profile of C23H27F2NO.ClH
Property Insights of C23H27F2NO.ClH
The XLogP value of 1.17 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C23H27F2NO.ClH. With a topological polar surface area (TPSA) of 21.5 Ų, C23H27F2NO.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C23H27F2NO.ClH has 1 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 C23H27F2NO.ClH?
The CAS number of C23H27F2NO.ClH is 36771-99-0.
What is the molecular formula of C23H27F2NO.ClH?
The molecular formula of C23H27F2NO.ClH is C23H28ClF2NO.
What is the molecular weight of C23H27F2NO.ClH?
The molecular weight of C23H27F2NO.ClH is 407.18 g/mol.
Where can I buy C23H27F2NO.ClH?
You can request a quote for C23H27F2NO.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C23H27F2NO.ClH?
Yes, KEHONG BIO provides custom synthesis services for C23H27F2NO.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.