C23H24ClNO2.ClH.3/2H2O
TL;DR: C23H24ClNO2.ClH.3/2H2O (CAS 67210-49-5) is a chemical compound with molecular formula C23H25Cl2NO2 and molecular weight 417.13 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)-2-(4-chlorophenyl)-3-phenylprop-2-enoate chloride
Also Known As: C23H24ClNO2.ClH.3/2H2O, C23-H24-Cl-N-O2.Cl-H.3/2H2-O, alpha-(p-Chlorophenyl)cinnamic acid 3-tropanyl ester hydrochloride sesquihydrate, Cinnamic acid, alpha-(p-chlorophenyl)-, 3-tropanyl ester, hydrochloride, sesquihydrate, (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) (E)-2-(4-chlorophenyl)-3-phenylprop-2-enoate chloride
| Molecular Formula | C23H25Cl2NO2 |
|---|---|
| Molecular Weight | 417.13 g/mol |
| LogP | 0.6359 |
| Topological Polar Surface Area | 30.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.12622 |
| Heavy Atoms | 28 |
| Complexity | 821.4407 |
Chemical Identifiers
| CAS Number | 67210-49-5 |
|---|---|
| SMILES | C[NH+]1C2CCC1CC(C2)OC(=O)/C(=C/C3=CC=CC=C3)/C4=CC=C(C=C4)Cl.[Cl-] |
Product Overview
C23H24ClNO2.ClH.3/2H2O (CAS 67210-49-5), with molecular formula C23H25Cl2NO2 and molecular weight 417.13 g/mol. IUPAC: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) (E)-2-(4-chlorophenyl)-3-phenylprop-2-enoate chloride.
Chemical Property Profile of C23H24ClNO2.ClH.3/2H2O
Property Insights of C23H24ClNO2.ClH.3/2H2O
The XLogP value of 0.6359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C23H24ClNO2.ClH.3/2H2O. With a topological polar surface area (TPSA) of 30.74 Ų, C23H24ClNO2.ClH.3/2H2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C23H24ClNO2.ClH.3/2H2O 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 C23H24ClNO2.ClH.3/2H2O?
The CAS number of C23H24ClNO2.ClH.3/2H2O is 67210-49-5.
What is the molecular formula of C23H24ClNO2.ClH.3/2H2O?
The molecular formula of C23H24ClNO2.ClH.3/2H2O is C23H25Cl2NO2.
What is the molecular weight of C23H24ClNO2.ClH.3/2H2O?
The molecular weight of C23H24ClNO2.ClH.3/2H2O is 417.13 g/mol.
Where can I buy C23H24ClNO2.ClH.3/2H2O?
You can request a quote for C23H24ClNO2.ClH.3/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C23H24ClNO2.ClH.3/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C23H24ClNO2.ClH.3/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.