RefChem:504471
TL;DR: RefChem:504471 (CAS 478253-34-8) is a chemical compound with molecular formula C18H18ClN7O4 and molecular weight 431.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(Z)-3-chlorobut-2-enyl]-1,3-dimethyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione
Also Known As: 3-NITROBENZALDEHYDE {7-[(2Z)-3-CHLORO-2-BUTENYL]-1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL}HYDRAZONE, 3-NITROBENZALDEHYDE (7-((2Z)-3-CHLORO-2-BUTENYL)-1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL)HYDRAZONE, 631-945-2, 7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-[2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione, RefChem:504471
| Molecular Formula | C18H18ClN7O4 |
|---|---|
| Molecular Weight | 431.11 g/mol |
| LogP | 1.9305 |
| Topological Polar Surface Area | 129.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.11087 |
| Heavy Atoms | 30 |
| Complexity | 1312.5417 |
Chemical Identifiers
| CAS Number | 478253-34-8 |
|---|---|
| SMILES | C/C(=C/CN1C2=C(N=C1N/N=C/C3=CC(=CC=C3)[N+](=O)[O-])N(C(=O)N(C2=O)C)C)/Cl |
Product Overview
RefChem:504471 (CAS 478253-34-8), with molecular formula C18H18ClN7O4 and molecular weight 431.11 g/mol. IUPAC: 7-[(Z)-3-chlorobut-2-enyl]-1,3-dimethyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione.
Chemical Property Profile of RefChem:504471
Property Insights of RefChem:504471
The XLogP value of 1.9305 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:504471. The TPSA of 129.35 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:504471. Following Lipinski's Rule of Five, RefChem:504471 has 1 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:504471?
The CAS number of RefChem:504471 is 478253-34-8.
What is the molecular formula of RefChem:504471?
The molecular formula of RefChem:504471 is C18H18ClN7O4.
What is the molecular weight of RefChem:504471?
The molecular weight of RefChem:504471 is 431.11 g/mol.
Where can I buy RefChem:504471?
You can request a quote for RefChem:504471 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:504471?
Yes, KEHONG BIO provides custom synthesis services for RefChem:504471 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.