ChemDiv1_004801
TL;DR: ChemDiv1_004801 (CAS 294889-55-7) is a chemical compound with molecular formula C25H20N6O3 and molecular weight 452.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[[6-(3,4-dimethylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino]phenyl] benzoate
Also Known As: ChemDiv1_004801, F0850-2774, 2-({6-[(3,4-DIMETHYLPHENYL)AMINO]-[1,2,5]OXADIAZOLO[3,4-B]PYRAZIN-5-YL}AMINO)PHENYL BENZOATE, [2-[[6-(3,4-dimethylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino]phenyl] benzoate, 2-{[6-(3,4-dimethylanilino)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino}phenyl benzoate
| Molecular Formula | C25H20N6O3 |
|---|---|
| Molecular Weight | 452.16 g/mol |
| LogP | 5.33604 |
| Topological Polar Surface Area | 115.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.1597 |
| Heavy Atoms | 34 |
| Complexity | 1483.0719 |
Chemical Identifiers
| CAS Number | 294889-55-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC2=NC3=NON=C3N=C2NC4=CC=CC=C4OC(=O)C5=CC=CC=C5)C |
Product Overview
ChemDiv1_004801 (CAS 294889-55-7), with molecular formula C25H20N6O3 and molecular weight 452.16 g/mol. IUPAC: [2-[[6-(3,4-dimethylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino]phenyl] benzoate.
Chemical Property Profile of ChemDiv1_004801
Property Insights of ChemDiv1_004801
The XLogP value of 5.33604 indicates that ChemDiv1_004801 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.06 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004801. Following Lipinski's Rule of Five, ChemDiv1_004801 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_004801?
The CAS number of ChemDiv1_004801 is 294889-55-7.
What is the molecular formula of ChemDiv1_004801?
The molecular formula of ChemDiv1_004801 is C25H20N6O3.
What is the molecular weight of ChemDiv1_004801?
The molecular weight of ChemDiv1_004801 is 452.16 g/mol.
Where can I buy ChemDiv1_004801?
You can request a quote for ChemDiv1_004801 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004801?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004801 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.