RefChem:522662
TL;DR: RefChem:522662 (CAS 478253-30-4) is a chemical compound with molecular formula C20H23ClN6O3 and molecular weight 430.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(Z)-3-chlorobut-2-enyl]-8-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 4-ETHOXYBENZALDEHYDE {7-[(2Z)-3-CHLORO-2-BUTENYL]-1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL}HYDRAZONE, 4-ETHOXYBENZALDEHYDE (7-((2Z)-3-CHLORO-2-BUTENYL)-1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL)HYDRAZONE, 631-948-9, 7-(3-chlorobut-2-enyl)-8-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-1,3-dimethyl-purine-2,6-dione, RefChem:522662
| Molecular Formula | C20H23ClN6O3 |
|---|---|
| Molecular Weight | 430.15 g/mol |
| LogP | 2.421 |
| Topological Polar Surface Area | 95.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 430.152 |
| Heavy Atoms | 30 |
| Complexity | 1230.6359 |
Chemical Identifiers
| CAS Number | 478253-30-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)/C=N/NC2=NC3=C(N2C/C=C(/C)\Cl)C(=O)N(C(=O)N3C)C |
Product Overview
RefChem:522662 (CAS 478253-30-4), with molecular formula C20H23ClN6O3 and molecular weight 430.15 g/mol. IUPAC: 7-[(Z)-3-chlorobut-2-enyl]-8-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of RefChem:522662
Property Insights of RefChem:522662
The XLogP value of 2.421 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:522662. The TPSA of 95.44 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:522662. Following Lipinski's Rule of Five, RefChem:522662 has 1 hydrogen bond donor(s) and 6 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:522662?
The CAS number of RefChem:522662 is 478253-30-4.
What is the molecular formula of RefChem:522662?
The molecular formula of RefChem:522662 is C20H23ClN6O3.
What is the molecular weight of RefChem:522662?
The molecular weight of RefChem:522662 is 430.15 g/mol.
Where can I buy RefChem:522662?
You can request a quote for RefChem:522662 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:522662?
Yes, KEHONG BIO provides custom synthesis services for RefChem:522662 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.