RefChem:1081798
TL;DR: RefChem:1081798 (CAS 67210-48-4) is a chemical compound with molecular formula C24H27Cl2NO3 and molecular weight 447.14 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-(4-methoxyphenyl)prop-2-enoate chloride
Also Known As: Cinnamic acid, alpha-(p-chlorophenyl)-p-methoxy-, 3-tropanyl ester, hydrochloride, alpha-(p-Chlorophenyl)-p-methoxycinnamic acid 3-tropanyl ester hydrochloride, (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) (E)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enoate chloride, Benzeneacetic acid, 4-chloro-.alpha.-[(4-methoxyphenyl)methylene]-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, hydrochloride, RefChem:1081798
| Molecular Formula | C24H27Cl2NO3 |
|---|---|
| Molecular Weight | 447.14 g/mol |
| LogP | 0.6445 |
| Topological Polar Surface Area | 39.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.1368 |
| Heavy Atoms | 30 |
| Complexity | 881.672 |
Chemical Identifiers
| CAS Number | 67210-48-4 |
|---|---|
| SMILES | C[NH+]1C2CCC1CC(C2)OC(=O)/C(=C/C3=CC=C(C=C3)OC)/C4=CC=C(C=C4)Cl.[Cl-] |
Product Overview
RefChem:1081798 (CAS 67210-48-4), with molecular formula C24H27Cl2NO3 and molecular weight 447.14 g/mol. IUPAC: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) (E)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enoate chloride.
Chemical Property Profile of RefChem:1081798
Property Insights of RefChem:1081798
The XLogP value of 0.6445 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1081798. With a topological polar surface area (TPSA) of 39.97 Ų, RefChem:1081798 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1081798 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:1081798?
The CAS number of RefChem:1081798 is 67210-48-4.
What is the molecular formula of RefChem:1081798?
The molecular formula of RefChem:1081798 is C24H27Cl2NO3.
What is the molecular weight of RefChem:1081798?
The molecular weight of RefChem:1081798 is 447.14 g/mol.
Where can I buy RefChem:1081798?
You can request a quote for RefChem:1081798 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1081798?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1081798 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.