CAS 478253-51-9 - C18H18BrClN6O3
TL;DR: CAS 478253-51-9 - C18H18BrClN6O3 (CAS 478253-51-9) is a chemical compound with molecular formula C18H18BrClN6O3 and molecular weight 480.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-7-(3-chlorobut-2-enyl)-1,3-dimethylpurine-2,6-dione
Also Known As: 8-(2-(5-Bromo-2-hydroxybenzylidene)hydrazinyl)-7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazin-1-yl]-7-[(2E)-3-chlorobut-2-en-1-yl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C18H18BrClN6O3 |
|---|---|
| Molecular Weight | 480.03 g/mol |
| LogP | 2.4904 |
| Topological Polar Surface Area | 106.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 480.03122 |
| Heavy Atoms | 29 |
| Complexity | 1267.3079 |
Chemical Identifiers
| CAS Number | 478253-51-9 |
|---|---|
| SMILES | CC(=CCN1C2=C(N=C1NN=CC3=C(C=CC(=C3)Br)O)N(C(=O)N(C2=O)C)C)Cl |
Product Overview
CAS 478253-51-9 - C18H18BrClN6O3 (CAS 478253-51-9), with molecular formula C18H18BrClN6O3 and molecular weight 480.03 g/mol. IUPAC: 8-[2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-7-(3-chlorobut-2-enyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of CAS 478253-51-9 - C18H18BrClN6O3
Property Insights of CAS 478253-51-9 - C18H18BrClN6O3
The XLogP value of 2.4904 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CAS 478253-51-9 - C18H18BrClN6O3. The TPSA of 106.44 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 478253-51-9 - C18H18BrClN6O3. Following Lipinski's Rule of Five, CAS 478253-51-9 - C18H18BrClN6O3 has 2 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 CAS 478253-51-9 - C18H18BrClN6O3?
The CAS number of CAS 478253-51-9 - C18H18BrClN6O3 is 478253-51-9.
What is the molecular formula of CAS 478253-51-9 - C18H18BrClN6O3?
The molecular formula of CAS 478253-51-9 - C18H18BrClN6O3 is C18H18BrClN6O3.
What is the molecular weight of CAS 478253-51-9 - C18H18BrClN6O3?
The molecular weight of CAS 478253-51-9 - C18H18BrClN6O3 is 480.03 g/mol.
Where can I buy CAS 478253-51-9 - C18H18BrClN6O3?
You can request a quote for CAS 478253-51-9 - C18H18BrClN6O3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 478253-51-9 - C18H18BrClN6O3?
Yes, KEHONG BIO provides custom synthesis services for CAS 478253-51-9 - C18H18BrClN6O3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.