AB00672705-01
TL;DR: AB00672705-01 (CAS 292057-07-9) is a chemical compound with molecular formula C12H10BrN5O3S and molecular weight 382.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(4-bromophenyl)methylideneamino]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide
Also Known As: AB00672705-01, F0849-2982, (E)-N'-(4-bromobenzylidene)-2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)thio)acetohydrazide, N'-[(E)-(4-bromophenyl)methylidene]-2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetohydrazide, N'-[(E)-(4-bromophenyl)methylidene]-2-[(3,5-dihydroxy-1,2,4-triazin-6-yl)sulfanyl]acetohydrazide
| Molecular Formula | C12H10BrN5O3S |
|---|---|
| Molecular Weight | 382.97 g/mol |
| LogP | 0.4631 |
| Topological Polar Surface Area | 120.07 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.96878 |
| Heavy Atoms | 22 |
| Complexity | 799.3993 |
Chemical Identifiers
| CAS Number | 292057-07-9 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=N/NC(=O)CSC2=NNC(=O)NC2=O)Br |
Product Overview
AB00672705-01 (CAS 292057-07-9), with molecular formula C12H10BrN5O3S and molecular weight 382.97 g/mol. IUPAC: N-[(E)-(4-bromophenyl)methylideneamino]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide.
Chemical Property Profile of AB00672705-01
Property Insights of AB00672705-01
The XLogP value of 0.4631 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00672705-01. The TPSA of 120.07 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00672705-01. Following Lipinski's Rule of Five, AB00672705-01 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 AB00672705-01?
The CAS number of AB00672705-01 is 292057-07-9.
What is the molecular formula of AB00672705-01?
The molecular formula of AB00672705-01 is C12H10BrN5O3S.
What is the molecular weight of AB00672705-01?
The molecular weight of AB00672705-01 is 382.97 g/mol.
Where can I buy AB00672705-01?
You can request a quote for AB00672705-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672705-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672705-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.