beta-Diethylaminoethyl p-(dimethylaminomethyleneamino)benzoate dihydrochloride
TL;DR: beta-Diethylaminoethyl p-(dimethylaminomethyleneamino)benzoate dihydrochloride (CAS 2452-58-6) is a chemical compound with molecular formula C16H27Cl2N3O2 and molecular weight 363.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[2-(diethylazaniumyl)ethoxycarbonyl]phenyl]iminomethyl-dimethylazanium dichloride
Also Known As: beta-Diethylaminoethyl p-(dimethylaminomethyleneamino)benzoate dihydrochloride, Benzoic acid, p-(dimethylaminomethyleneamino)-, 2-diethylaminoethyl ester, dihydrochloride, p-(Dimethylaminomethyleneamino)benzoic acid diethylaminoethyl ester dihydrochloride, [4-[2-(diethylazaniumyl)ethoxycarbonyl]phenyl]iminomethyl-dimethylazanium dichloride, Benzoic acid, p-[[(dimethylamino)methylene]amino]-, 2-(diethylamino)ethyl ester, dihydrochloride
| Molecular Formula | C16H27Cl2N3O2 |
|---|---|
| Molecular Weight | 363.15 g/mol |
| LogP | -6.42 |
| Topological Polar Surface Area | 47.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 363.14804 |
| Heavy Atoms | 23 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 2452-58-6 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)N=C[NH+](C)C.[Cl-].[Cl-] |
| InChIKey | YNECUNMGIOXHCS-UHFFFAOYSA-N |
Product Overview
beta-Diethylaminoethyl p-(dimethylaminomethyleneamino)benzoate dihydrochloride (CAS 2452-58-6), with molecular formula C16H27Cl2N3O2 and molecular weight 363.15 g/mol. IUPAC: [4-[2-(diethylazaniumyl)ethoxycarbonyl]phenyl]iminomethyl-dimethylazanium dichloride.
Chemical Property Profile of beta-Diethylaminoethyl p-(dimethylaminomethyleneamino)benzoate dihydrochloride
Property Insights of beta-Diethylaminoethyl p-(dimethylaminomethyleneamino)benzoate dihydrochloride
The XLogP value of -6.42 indicates that beta-Diethylaminoethyl p-(dimethylaminomethyleneamino)benzoate dihydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.5 Ų, beta-Diethylaminoethyl p-(dimethylaminomethyleneamino)benzoate dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Diethylaminoethyl p-(dimethylaminomethyleneamino)benzoate dihydrochloride has 2 hydrogen bond donor(s) and 5 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 beta-Diethylaminoethyl p-(dimethylaminomethyleneamino)benzoate dihydrochloride?
The CAS number of beta-Diethylaminoethyl p-(dimethylaminomethyleneamino)benzoate dihydrochloride is 2452-58-6.
What is the molecular formula of beta-Diethylaminoethyl p-(dimethylaminomethyleneamino)benzoate dihydrochloride?
The molecular formula of beta-Diethylaminoethyl p-(dimethylaminomethyleneamino)benzoate dihydrochloride is C16H27Cl2N3O2.
What is the molecular weight of beta-Diethylaminoethyl p-(dimethylaminomethyleneamino)benzoate dihydrochloride?
The molecular weight of beta-Diethylaminoethyl p-(dimethylaminomethyleneamino)benzoate dihydrochloride is 363.15 g/mol.
Where can I buy beta-Diethylaminoethyl p-(dimethylaminomethyleneamino)benzoate dihydrochloride?
You can request a quote for beta-Diethylaminoethyl p-(dimethylaminomethyleneamino)benzoate dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Diethylaminoethyl p-(dimethylaminomethyleneamino)benzoate dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for beta-Diethylaminoethyl p-(dimethylaminomethyleneamino)benzoate dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.