Dilopetine Citrate
TL;DR: Dilopetine Citrate (CAS 247046-53-3) is a chemical compound with molecular formula C19H27N3O8S and molecular weight 457.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: Dilopetine Citrate, 247046-64-6 (citrate), E-6006, (N,N-Dimethyl-N-[2-[1-(1-methyl-1H-pyrazol-5-yl)-1-(2-thienyl)methoxy]ethyl]amine citrate ), N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
| Molecular Formula | C19H27N3O8S |
|---|---|
| Molecular Weight | 457.15 g/mol |
| LogP | 0.9007 |
| Topological Polar Surface Area | 162.42 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 457.1519 |
| Heavy Atoms | 31 |
| Complexity | 834.2199 |
Chemical Identifiers
| CAS Number | 247046-53-3 |
|---|---|
| SMILES | CN1C(=CC=N1)C(C2=CC=CS2)OCCN(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Product Overview
Dilopetine Citrate (CAS 247046-53-3), with molecular formula C19H27N3O8S and molecular weight 457.15 g/mol. IUPAC: N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of Dilopetine Citrate
Property Insights of Dilopetine Citrate
The XLogP value of 0.9007 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dilopetine Citrate. The TPSA of 162.42 Ų indicates high polarity, suggesting Dilopetine Citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dilopetine Citrate has 4 hydrogen bond donor(s) and 8 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 Dilopetine Citrate?
The CAS number of Dilopetine Citrate is 247046-53-3.
What is the molecular formula of Dilopetine Citrate?
The molecular formula of Dilopetine Citrate is C19H27N3O8S.
What is the molecular weight of Dilopetine Citrate?
The molecular weight of Dilopetine Citrate is 457.15 g/mol.
Where can I buy Dilopetine Citrate?
You can request a quote for Dilopetine Citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dilopetine Citrate?
Yes, KEHONG BIO provides custom synthesis services for Dilopetine Citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.