RefChem:1077892
TL;DR: RefChem:1077892 (CAS 73664-53-6) is a chemical compound with molecular formula C21H32ClN7O3 and molecular weight 465.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-[4-[(E)-[(1,3,7-trimethyl-2,6-dioxo-4,5-dihydropurin-8-yl)hydrazinylidene]methyl]phenoxy]ethyl]azanium chloride
Also Known As: Benzaldehyde, p-(2-(diethylamino)ethoxy)-, (1,3,7-trimethyl-8-xanthinyl)hydrazonehydrochloride, 8-(2-(p-(2-(Diethylamino)ethoxy)benzylidene)hydrazino)caffeine hydrochloride, Caffeine, 8-(2-(p-(2-(diethylamino)ethoxy)benzylidene)hydrazino)-, hydrochloride, p-(2-(Diethylamino)ethoxy)benzaldehyde (1,3,7-trimethyl-8-xanthinyl)hydrazone hydrochloride, BENZALDEHYDE, p-(2-(DIETHYLAMINO)ETHOXY)-, (1,3,7-TRIMETHYL-8-XANTHINYL)HYDRAZON
| Molecular Formula | C21H32ClN7O3 |
|---|---|
| Molecular Weight | 465.23 g/mol |
| LogP | -3.5625 |
| Topological Polar Surface Area | 94.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 465.22552 |
| Heavy Atoms | 32 |
| Complexity | 857.45416 |
Chemical Identifiers
| CAS Number | 73664-53-6 |
|---|---|
| SMILES | CC[NH+](CC)CCOC1=CC=C(C=C1)/C=N/NC2=NC3C(N2C)C(=O)N(C(=O)N3C)C.[Cl-] |
Product Overview
RefChem:1077892 (CAS 73664-53-6), with molecular formula C21H32ClN7O3 and molecular weight 465.23 g/mol. IUPAC: diethyl-[2-[4-[(E)-[(1,3,7-trimethyl-2,6-dioxo-4,5-dihydropurin-8-yl)hydrazinylidene]methyl]phenoxy]ethyl]azanium chloride.
Chemical Property Profile of RefChem:1077892
Property Insights of RefChem:1077892
The XLogP value of -3.5625 indicates that RefChem:1077892 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.28 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1077892. Following Lipinski's Rule of Five, RefChem:1077892 has 2 hydrogen bond donor(s) and 7 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:1077892?
The CAS number of RefChem:1077892 is 73664-53-6.
What is the molecular formula of RefChem:1077892?
The molecular formula of RefChem:1077892 is C21H32ClN7O3.
What is the molecular weight of RefChem:1077892?
The molecular weight of RefChem:1077892 is 465.23 g/mol.
Where can I buy RefChem:1077892?
You can request a quote for RefChem:1077892 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1077892?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1077892 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.