AB00102745-01
TL;DR: AB00102745-01 (CAS 302950-72-7) is a chemical compound with molecular formula C11H9ClFN5O and molecular weight 281.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2E)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
Also Known As: AB00102745-01, F0919-0700, (E)-5-(2-(2-chloro-6-fluorobenzylidene)hydrazinyl)-6-methyl-1,2,4-triazin-3(2H)-one, 2-chloro-6-fluorobenzaldehyde (6-methyl-3-oxo-2,3-dihydro-1,2,4-triazin-5-yl)hydrazone, 5-[(2E)-2-(2-chloro-6-fluorobenzylidene)hydrazinyl]-6-methyl-1,2,4-triazin-3(2H)-one
| Molecular Formula | C11H9ClFN5O |
|---|---|
| Molecular Weight | 281.05 g/mol |
| LogP | 1.71182 |
| Topological Polar Surface Area | 83.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.04797 |
| Heavy Atoms | 19 |
| Complexity | 664.776 |
Chemical Identifiers
| CAS Number | 302950-72-7 |
|---|---|
| SMILES | CC1=NNC(=O)N=C1N/N=C/C2=C(C=CC=C2Cl)F |
Product Overview
AB00102745-01 (CAS 302950-72-7), with molecular formula C11H9ClFN5O and molecular weight 281.05 g/mol. IUPAC: 5-[(2E)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one.
Chemical Property Profile of AB00102745-01
Property Insights of AB00102745-01
The XLogP value of 1.71182 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00102745-01. The TPSA of 83.03 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00102745-01. Following Lipinski's Rule of Five, AB00102745-01 has 2 hydrogen bond donor(s) and 5 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 AB00102745-01?
The CAS number of AB00102745-01 is 302950-72-7.
What is the molecular formula of AB00102745-01?
The molecular formula of AB00102745-01 is C11H9ClFN5O.
What is the molecular weight of AB00102745-01?
The molecular weight of AB00102745-01 is 281.05 g/mol.
Where can I buy AB00102745-01?
You can request a quote for AB00102745-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00102745-01?
Yes, KEHONG BIO provides custom synthesis services for AB00102745-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.