C14H12BrN7O3
TL;DR: C14H12BrN7O3 (CAS 305865-83-2) is a chemical compound with molecular formula C14H12BrN7O3 and molecular weight 405.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-2-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)ethylideneamino]pyridine-4-carboxamide
Also Known As: (E)-N'-(2-(8-bromo-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)ethylidene)isonicotinohydrazide
| Molecular Formula | C14H12BrN7O3 |
|---|---|
| Molecular Weight | 405.02 g/mol |
| LogP | -0.0034 |
| Topological Polar Surface Area | 127.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.0185 |
| Heavy Atoms | 25 |
| Complexity | 1081.4838 |
Chemical Identifiers
| CAS Number | 305865-83-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)C/C=N/NC(=O)C3=CC=NC=C3 |
Product Overview
C14H12BrN7O3 (CAS 305865-83-2), with molecular formula C14H12BrN7O3 and molecular weight 405.02 g/mol. IUPAC: N-[(E)-2-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)ethylideneamino]pyridine-4-carboxamide.
Chemical Property Profile of C14H12BrN7O3
Property Insights of C14H12BrN7O3
The XLogP value of -0.0034 indicates that C14H12BrN7O3 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.03 Ų falls within the moderate polarity range, balancing permeability and solubility for C14H12BrN7O3. Following Lipinski's Rule of Five, C14H12BrN7O3 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 C14H12BrN7O3?
The CAS number of C14H12BrN7O3 is 305865-83-2.
What is the molecular formula of C14H12BrN7O3?
The molecular formula of C14H12BrN7O3 is C14H12BrN7O3.
What is the molecular weight of C14H12BrN7O3?
The molecular weight of C14H12BrN7O3 is 405.02 g/mol.
Where can I buy C14H12BrN7O3?
You can request a quote for C14H12BrN7O3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C14H12BrN7O3?
Yes, KEHONG BIO provides custom synthesis services for C14H12BrN7O3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.