RefChem:1081844
TL;DR: RefChem:1081844 (CAS 67210-56-4) is a chemical compound with molecular formula C25H30ClNO4 and molecular weight 443.19 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)-2,3-bis(4-methoxyphenyl)prop-2-enoate chloride
Also Known As: Cinnamic acid, p-methoxy-alpha-(p-methoxyphenyl)-, 3-tropanyl ester, hydrochloride, p-Methoxy-alpha-(p-methoxyphenyl)cinnamic acid 3-tropanyl ester hydrochloride, (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) (E)-2,3-bis(4-methoxyphenyl)prop-2-enoate chloride, Benzeneacetic acid, 4-methoxy-.alpha.-[(4-methoxyphenyl)methylene]-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, hydrochloride, RefChem:1081844
| Molecular Formula | C25H30ClNO4 |
|---|---|
| Molecular Weight | 443.19 g/mol |
| LogP | -0.0003 |
| Topological Polar Surface Area | 49.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.18634 |
| Heavy Atoms | 31 |
| Complexity | 896.12415 |
Chemical Identifiers
| CAS Number | 67210-56-4 |
|---|---|
| SMILES | C[NH+]1C2CCC1CC(C2)OC(=O)/C(=C/C3=CC=C(C=C3)OC)/C4=CC=C(C=C4)OC.[Cl-] |
Product Overview
RefChem:1081844 (CAS 67210-56-4), with molecular formula C25H30ClNO4 and molecular weight 443.19 g/mol. IUPAC: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) (E)-2,3-bis(4-methoxyphenyl)prop-2-enoate chloride.
Chemical Property Profile of RefChem:1081844
Property Insights of RefChem:1081844
The XLogP value of -0.0003 indicates that RefChem:1081844 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.2 Ų, RefChem:1081844 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1081844 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 RefChem:1081844?
The CAS number of RefChem:1081844 is 67210-56-4.
What is the molecular formula of RefChem:1081844?
The molecular formula of RefChem:1081844 is C25H30ClNO4.
What is the molecular weight of RefChem:1081844?
The molecular weight of RefChem:1081844 is 443.19 g/mol.
Where can I buy RefChem:1081844?
You can request a quote for RefChem:1081844 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1081844?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1081844 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.