C25H36N2.2ClH.1/2H2O
TL;DR: C25H36N2.2ClH.1/2H2O (CAS 19947-07-0) is a chemical compound with molecular formula C25H38Cl2N2 and molecular weight 436.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-7-(dimethylazaniumyl)-4-[2-(2-phenylethyl)phenyl]hept-3-enyl]-dimethylazanium dichloride
Also Known As: C25H36N2.2ClH.1/2H2O, C25-H36-N2.2Cl-H.1/2H2-O, 1,7-Bis(dimethylamino)-4-(2-(2-phenylethyl)phenyl)-3-heptene dihydrochloride hemihydrate, 3-Heptene-1,7-diamine, 4-(o-phenethylphenyl)-N,N,N',N'-tetramethyl-, hydrochloride, hydrate (2:4:1), 4-(o-Phenethylphenyl)-N,N,N',N'-tetramethyl-3-heptene-1,7-diamine 2HCl hemihydrate
| Molecular Formula | C25H38Cl2N2 |
|---|---|
| Molecular Weight | 436.24 g/mol |
| LogP | -3.6775 |
| Topological Polar Surface Area | 8.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 11 |
| Exact Mass | 436.2412 |
| Heavy Atoms | 29 |
| Complexity | 696.9794 |
Chemical Identifiers
| CAS Number | 19947-07-0 |
|---|---|
| SMILES | C[NH+](C)CCC/C(=C/CC[NH+](C)C)/C1=CC=CC=C1CCC2=CC=CC=C2.[Cl-].[Cl-] |
Product Overview
C25H36N2.2ClH.1/2H2O (CAS 19947-07-0), with molecular formula C25H38Cl2N2 and molecular weight 436.24 g/mol. IUPAC: [(Z)-7-(dimethylazaniumyl)-4-[2-(2-phenylethyl)phenyl]hept-3-enyl]-dimethylazanium dichloride.
Chemical Property Profile of C25H36N2.2ClH.1/2H2O
Property Insights of C25H36N2.2ClH.1/2H2O
The XLogP value of -3.6775 indicates that C25H36N2.2ClH.1/2H2O is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 8.88 Ų, C25H36N2.2ClH.1/2H2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C25H36N2.2ClH.1/2H2O has 2 hydrogen bond donor(s) and 0 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 C25H36N2.2ClH.1/2H2O?
The CAS number of C25H36N2.2ClH.1/2H2O is 19947-07-0.
What is the molecular formula of C25H36N2.2ClH.1/2H2O?
The molecular formula of C25H36N2.2ClH.1/2H2O is C25H38Cl2N2.
What is the molecular weight of C25H36N2.2ClH.1/2H2O?
The molecular weight of C25H36N2.2ClH.1/2H2O is 436.24 g/mol.
Where can I buy C25H36N2.2ClH.1/2H2O?
You can request a quote for C25H36N2.2ClH.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C25H36N2.2ClH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C25H36N2.2ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.