C24H24F3NO2.ClH.1/4H2O
TL;DR: C24H24F3NO2.ClH.1/4H2O (CAS 67210-61-1) is a chemical compound with molecular formula C24H25ClF3NO2 and molecular weight 451.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) (E)-3-phenyl-2-[4-(trifluoromethyl)phenyl]prop-2-enoate chloride
Also Known As: C24H24F3NO2.ClH.1/4H2O, C24-H24-F3-N-O2.Cl-H.1/4H2-O, Cinnamic acid, alpha-(alpha,alpha,alpha-trifluoro-p-tolyl)-, 3-tropanyl ester, hydrochloride, hydrate (4:1:1), CINNAMIC ACID, alpha-(alpha,alpha,alpha-TRIFLUORO-p-TOLYL)-, 3-TROPANYL ESTER, H, (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) (E)-3-phenyl-2-[4-(trifluoromethyl)phenyl]prop-2-enoate chloride
| Molecular Formula | C24H25ClF3NO2 |
|---|---|
| Molecular Weight | 451.15 g/mol |
| LogP | 1.0013 |
| Topological Polar Surface Area | 30.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 451.1526 |
| Heavy Atoms | 31 |
| Complexity | 914.09064 |
Chemical Identifiers
| CAS Number | 67210-61-1 |
|---|---|
| SMILES | C[NH+]1C2CCC1CC(C2)OC(=O)/C(=C/C3=CC=CC=C3)/C4=CC=C(C=C4)C(F)(F)F.[Cl-] |
Product Overview
C24H24F3NO2.ClH.1/4H2O (CAS 67210-61-1), with molecular formula C24H25ClF3NO2 and molecular weight 451.15 g/mol. IUPAC: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) (E)-3-phenyl-2-[4-(trifluoromethyl)phenyl]prop-2-enoate chloride.
Chemical Property Profile of C24H24F3NO2.ClH.1/4H2O
Property Insights of C24H24F3NO2.ClH.1/4H2O
The XLogP value of 1.0013 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C24H24F3NO2.ClH.1/4H2O. With a topological polar surface area (TPSA) of 30.74 Ų, C24H24F3NO2.ClH.1/4H2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C24H24F3NO2.ClH.1/4H2O has 1 hydrogen bond donor(s) and 2 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 C24H24F3NO2.ClH.1/4H2O?
The CAS number of C24H24F3NO2.ClH.1/4H2O is 67210-61-1.
What is the molecular formula of C24H24F3NO2.ClH.1/4H2O?
The molecular formula of C24H24F3NO2.ClH.1/4H2O is C24H25ClF3NO2.
What is the molecular weight of C24H24F3NO2.ClH.1/4H2O?
The molecular weight of C24H24F3NO2.ClH.1/4H2O is 451.15 g/mol.
Where can I buy C24H24F3NO2.ClH.1/4H2O?
You can request a quote for C24H24F3NO2.ClH.1/4H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C24H24F3NO2.ClH.1/4H2O?
Yes, KEHONG BIO provides custom synthesis services for C24H24F3NO2.ClH.1/4H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.