F1144-0004
TL;DR: F1144-0004 (CAS 536718-34-0) is a chemical compound with molecular formula C21H19BrN6O3 and molecular weight 482.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione
Also Known As: F1144-0004, (E)-8-(2-(4-bromobenzylidene)hydrazinyl)-3-methyl-7-(2-phenoxyethyl)-1H-purine-2,6(3H,7H)-dione, 8-[(E)-2-[(4-bromophenyl)methylidene]hydrazin-1-yl]-3-methyl-7-(2-phenoxyethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-[2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione, 4-bromobenzaldehyde [3-methyl-2,6-dioxo-7-(2-phenoxyethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone
| Molecular Formula | C21H19BrN6O3 |
|---|---|
| Molecular Weight | 482.07 g/mol |
| LogP | 2.7108 |
| Topological Polar Surface Area | 106.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 482.0702 |
| Heavy Atoms | 31 |
| Complexity | 1340.0455 |
Chemical Identifiers
| CAS Number | 536718-34-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C3=CC=C(C=C3)Br)CCOC4=CC=CC=C4 |
Product Overview
F1144-0004 (CAS 536718-34-0), with molecular formula C21H19BrN6O3 and molecular weight 482.07 g/mol. IUPAC: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione.
Chemical Property Profile of F1144-0004
Property Insights of F1144-0004
The XLogP value of 2.7108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1144-0004. The TPSA of 106.3 Ų falls within the moderate polarity range, balancing permeability and solubility for F1144-0004. Following Lipinski's Rule of Five, F1144-0004 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 F1144-0004?
The CAS number of F1144-0004 is 536718-34-0.
What is the molecular formula of F1144-0004?
The molecular formula of F1144-0004 is C21H19BrN6O3.
What is the molecular weight of F1144-0004?
The molecular weight of F1144-0004 is 482.07 g/mol.
Where can I buy F1144-0004?
You can request a quote for F1144-0004 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1144-0004?
Yes, KEHONG BIO provides custom synthesis services for F1144-0004 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.