C15H13BrN6O4
TL;DR: C15H13BrN6O4 (CAS 327100-32-3) is a chemical compound with molecular formula C15H13BrN6O4 and molecular weight 420.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2E)-2-[2-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)ethylidene]hydrazinyl]benzoic acid
Also Known As: (E)-4-(2-(2-(8-bromo-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)ethylidene)hydrazinyl)benzoic acid, 4-[2-[2-(8-bromo-3-methyl-2,6-dioxo-purin-7-yl)ethylidene]hydrazinyl]benzoic Acid, 4-{(2E)-2-[2-(8-BROMO-3-METHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL)ETHYLIDENE]HYDRAZINO}BENZOIC ACID, 4-{(2E)-2-[2-(8-bromo-6-hydroxy-3-methyl-2-oxo-2,3-dihydro-7H-purin-7-yl)ethylidene]hydrazinyl}benzoic acid
| Molecular Formula | C15H13BrN6O4 |
|---|---|
| Molecular Weight | 420.02 g/mol |
| LogP | 0.9819 |
| Topological Polar Surface Area | 134.37 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.01816 |
| Heavy Atoms | 26 |
| Complexity | 1125.9746 |
Chemical Identifiers
| CAS Number | 327100-32-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)C/C=N/NC3=CC=C(C=C3)C(=O)O |
Product Overview
C15H13BrN6O4 (CAS 327100-32-3), with molecular formula C15H13BrN6O4 and molecular weight 420.02 g/mol. IUPAC: 4-[(2E)-2-[2-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)ethylidene]hydrazinyl]benzoic acid.
Chemical Property Profile of C15H13BrN6O4
Property Insights of C15H13BrN6O4
The XLogP value of 0.9819 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C15H13BrN6O4. The TPSA of 134.37 Ų falls within the moderate polarity range, balancing permeability and solubility for C15H13BrN6O4. Following Lipinski's Rule of Five, C15H13BrN6O4 has 3 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 C15H13BrN6O4?
The CAS number of C15H13BrN6O4 is 327100-32-3.
What is the molecular formula of C15H13BrN6O4?
The molecular formula of C15H13BrN6O4 is C15H13BrN6O4.
What is the molecular weight of C15H13BrN6O4?
The molecular weight of C15H13BrN6O4 is 420.02 g/mol.
Where can I buy C15H13BrN6O4?
You can request a quote for C15H13BrN6O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C15H13BrN6O4?
Yes, KEHONG BIO provides custom synthesis services for C15H13BrN6O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.