RefChem:319656
TL;DR: RefChem:319656 (CAS 1945-00-2) is a chemical compound with molecular formula C22H32Cl2N2O and molecular weight 410.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[2-[3-(3-methoxyphenyl)-3-propylpyrrolidin-1-ium-1-yl]ethyl]phenyl]azanium dichloride
Also Known As: 2-(4-Hydroxyphenyl)-5-pyrimidinol, Aniline, p-(2-(3-(m-methoxyphenyl)-3-propyl-1-pyrrolidinyl)ethyl)-, dihydrochloride, 1-(p-Aminophenethyl)-3-(m-methoxyphenyl)-3-propylpyrrolidine dihydrochloride, Pyrrolidine, 1-(p-aminophenethyl)-3-(m-methoxyphenyl)-3-propyl- dihydrochloride, [4-[2-[3-(3-methoxyphenyl)-3-propylpyrrolidin-1-ium-1-yl]ethyl]phenyl]azanium dichloride
| Molecular Formula | C22H32Cl2N2O |
|---|---|
| Molecular Weight | 410.19 g/mol |
| LogP | -3.85 |
| Topological Polar Surface Area | 41.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 410.18918 |
| Heavy Atoms | 27 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 1945-00-2 |
|---|---|
| SMILES | CCCC1(CC[NH+](C1)CCC2=CC=C(C=C2)[NH3+])C3=CC(=CC=C3)OC.[Cl-].[Cl-] |
| InChIKey | QBYCXMGSUPQWEW-UHFFFAOYSA-N |
Product Overview
RefChem:319656 (CAS 1945-00-2), with molecular formula C22H32Cl2N2O and molecular weight 410.19 g/mol. IUPAC: [4-[2-[3-(3-methoxyphenyl)-3-propylpyrrolidin-1-ium-1-yl]ethyl]phenyl]azanium dichloride.
Chemical Property Profile of RefChem:319656
Property Insights of RefChem:319656
The XLogP value of -3.85 indicates that RefChem:319656 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.3 Ų, RefChem:319656 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:319656 has 2 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:319656?
The CAS number of RefChem:319656 is 1945-00-2.
What is the molecular formula of RefChem:319656?
The molecular formula of RefChem:319656 is C22H32Cl2N2O.
What is the molecular weight of RefChem:319656?
The molecular weight of RefChem:319656 is 410.19 g/mol.
Where can I buy RefChem:319656?
You can request a quote for RefChem:319656 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319656?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319656 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.