AB00667598-01
TL;DR: AB00667598-01 (CAS 301679-56-1) is a chemical compound with molecular formula C16H17N5O3 and molecular weight 327.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]propanamide
Also Known As: AB00667598-01, F0347-4419, (E)-3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N'-((E)-2-methyl-3-phenylallylidene)propanehydrazide, 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]propanehydrazide, 3-(3,5-DIOXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZIN-6-YL)-N'-[(E,2E)-2-METHYL-3-PHENYL-2-PROPENYLIDENE]PROPANOHYDRAZIDE
| Molecular Formula | C16H17N5O3 |
|---|---|
| Molecular Weight | 327.13 g/mol |
| LogP | 0.5963 |
| Topological Polar Surface Area | 120.07 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 327.13315 |
| Heavy Atoms | 24 |
| Complexity | 865.0268 |
Chemical Identifiers
| CAS Number | 301679-56-1 |
|---|---|
| SMILES | C/C(=C\C1=CC=CC=C1)/C=N/NC(=O)CCC2=NNC(=O)NC2=O |
Product Overview
AB00667598-01 (CAS 301679-56-1), with molecular formula C16H17N5O3 and molecular weight 327.13 g/mol. IUPAC: 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]propanamide.
Chemical Property Profile of AB00667598-01
Property Insights of AB00667598-01
The XLogP value of 0.5963 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00667598-01. The TPSA of 120.07 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00667598-01. Following Lipinski's Rule of Five, AB00667598-01 has 3 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 AB00667598-01?
The CAS number of AB00667598-01 is 301679-56-1.
What is the molecular formula of AB00667598-01?
The molecular formula of AB00667598-01 is C16H17N5O3.
What is the molecular weight of AB00667598-01?
The molecular weight of AB00667598-01 is 327.13 g/mol.
Where can I buy AB00667598-01?
You can request a quote for AB00667598-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00667598-01?
Yes, KEHONG BIO provides custom synthesis services for AB00667598-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.