N,N-Diethylglycine benzyl ester hydrochloride
TL;DR: N,N-Diethylglycine benzyl ester hydrochloride (CAS 86873-11-2) is a chemical compound with molecular formula C14H17BrN4O2 and molecular weight 352.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(diethylamino)acetamide
Also Known As: N,N-Diethylglycine benzyl ester hydrochloride, Glycine, N,N-diethyl-, (5-bromo-1,2-dihydro-2-oxo-3H-indol-3-ylidene)hydrazide, (Z)-, N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(diethylamino)acetamide, N'-(5-bromo-2-oxoindol-3-yl)-2-(diethylamino)acetohydrazide, N'-(5-Bromo-2-oxo-2H-indol-3-yl)-2-(diethylamino)acetohydrazide
| Molecular Formula | C14H17BrN4O2 |
|---|---|
| Molecular Weight | 352.05 g/mol |
| LogP | 3.5881 |
| Topological Polar Surface Area | 81.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.0535 |
| Heavy Atoms | 21 |
| Complexity | 676.909 |
Chemical Identifiers
| CAS Number | 86873-11-2 |
|---|---|
| SMILES | CCN(CC)CC(=O)N=NC1=C(NC2=C1C=C(C=C2)Br)O |
Product Overview
N,N-Diethylglycine benzyl ester hydrochloride (CAS 86873-11-2), with molecular formula C14H17BrN4O2 and molecular weight 352.05 g/mol. IUPAC: N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(diethylamino)acetamide.
Chemical Property Profile of N,N-Diethylglycine benzyl ester hydrochloride
Property Insights of N,N-Diethylglycine benzyl ester hydrochloride
The XLogP value of 3.5881 indicates that N,N-Diethylglycine benzyl ester hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.05 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-Diethylglycine benzyl ester hydrochloride. Following Lipinski's Rule of Five, N,N-Diethylglycine benzyl ester hydrochloride has 2 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 N,N-Diethylglycine benzyl ester hydrochloride?
The CAS number of N,N-Diethylglycine benzyl ester hydrochloride is 86873-11-2.
What is the molecular formula of N,N-Diethylglycine benzyl ester hydrochloride?
The molecular formula of N,N-Diethylglycine benzyl ester hydrochloride is C14H17BrN4O2.
What is the molecular weight of N,N-Diethylglycine benzyl ester hydrochloride?
The molecular weight of N,N-Diethylglycine benzyl ester hydrochloride is 352.05 g/mol.
Where can I buy N,N-Diethylglycine benzyl ester hydrochloride?
You can request a quote for N,N-Diethylglycine benzyl ester hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Diethylglycine benzyl ester hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N,N-Diethylglycine benzyl ester hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.