AB00668294-01
TL;DR: AB00668294-01 (CAS 450346-11-9) is a chemical compound with molecular formula C13H11BrClN7O4 and molecular weight 442.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[2-(6-amino-5-nitropyrimidin-4-yl)hydrazinyl]-2-oxoethyl]-5-bromo-2-chlorobenzamide
Also Known As: AB00668294-01, F0543-0280, N-{[N'-(6-amino-5-nitropyrimidin-4-yl)hydrazinecarbonyl]methyl}-5-bromo-2-chlorobenzamide, N-[2-[2-(6-amino-5-nitropyrimidin-4-yl)hydrazinyl]-2-oxoethyl]-5-bromo-2-chlorobenzamide, N-(2-(2-(6-amino-5-nitropyrimidin-4-yl)hydrazinyl)-2-oxoethyl)-5-bromo-2-chlorobenzamide
| Molecular Formula | C13H11BrClN7O4 |
|---|---|
| Molecular Weight | 442.97 g/mol |
| LogP | 1.256 |
| Topological Polar Surface Area | 165.17 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.97443 |
| Heavy Atoms | 26 |
| Complexity | 879.5662 |
Chemical Identifiers
| CAS Number | 450346-11-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1Br)C(=O)NCC(=O)NNC2=NC=NC(=C2[N+](=O)[O-])N)Cl |
Product Overview
AB00668294-01 (CAS 450346-11-9), with molecular formula C13H11BrClN7O4 and molecular weight 442.97 g/mol. IUPAC: N-[2-[2-(6-amino-5-nitropyrimidin-4-yl)hydrazinyl]-2-oxoethyl]-5-bromo-2-chlorobenzamide.
Chemical Property Profile of AB00668294-01
Property Insights of AB00668294-01
The XLogP value of 1.256 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00668294-01. The TPSA of 165.17 Ų indicates high polarity, suggesting AB00668294-01 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AB00668294-01 has 4 hydrogen bond donor(s) and 8 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 AB00668294-01?
The CAS number of AB00668294-01 is 450346-11-9.
What is the molecular formula of AB00668294-01?
The molecular formula of AB00668294-01 is C13H11BrClN7O4.
What is the molecular weight of AB00668294-01?
The molecular weight of AB00668294-01 is 442.97 g/mol.
Where can I buy AB00668294-01?
You can request a quote for AB00668294-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668294-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668294-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.