RefChem:561304
TL;DR: RefChem:561304 (CAS 478253-18-8) is a chemical compound with molecular formula C18H19ClN6O2 and molecular weight 386.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2E)-2-benzylidenehydrazinyl]-7-[(Z)-3-chlorobut-2-enyl]-1,3-dimethylpurine-2,6-dione
Also Known As: benzaldehyde {7-[(2Z)-3-chloro-2-butenyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}hydrazone, 8-(2-benzylidenehydrazinyl)-7-(3-chlorobut-2-enyl)-1,3-dimethyl-purine-2,6-dione, 631-979-8, BENZALDEHYDE (7-((2Z)-3-CHLORO-2-BUTENYL)-1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL)HYDRAZONE, RefChem:561304
| Molecular Formula | C18H19ClN6O2 |
|---|---|
| Molecular Weight | 386.13 g/mol |
| LogP | 2.0223 |
| Topological Polar Surface Area | 86.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.1258 |
| Heavy Atoms | 27 |
| Complexity | 1150.5391 |
Chemical Identifiers
| CAS Number | 478253-18-8 |
|---|---|
| SMILES | C/C(=C/CN1C2=C(N=C1N/N=C/C3=CC=CC=C3)N(C(=O)N(C2=O)C)C)/Cl |
Product Overview
RefChem:561304 (CAS 478253-18-8), with molecular formula C18H19ClN6O2 and molecular weight 386.13 g/mol. IUPAC: 8-[(2E)-2-benzylidenehydrazinyl]-7-[(Z)-3-chlorobut-2-enyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of RefChem:561304
Property Insights of RefChem:561304
The XLogP value of 2.0223 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:561304. The TPSA of 86.21 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:561304. Following Lipinski's Rule of Five, RefChem:561304 has 1 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 RefChem:561304?
The CAS number of RefChem:561304 is 478253-18-8.
What is the molecular formula of RefChem:561304?
The molecular formula of RefChem:561304 is C18H19ClN6O2.
What is the molecular weight of RefChem:561304?
The molecular weight of RefChem:561304 is 386.13 g/mol.
Where can I buy RefChem:561304?
You can request a quote for RefChem:561304 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:561304?
Yes, KEHONG BIO provides custom synthesis services for RefChem:561304 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.