BAS 01280727
TL;DR: BAS 01280727 (CAS 314040-30-7) is a chemical compound with molecular formula C18H16N4O4 and molecular weight 352.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dimethyl-4-[(4-nitro-7-oxocyclohepta-1,3,5-trien-1-yl)amino]-2-phenylpyrazol-3-one
Also Known As: BAS 01280727, 1,5-dimethyl-4-[(4-nitro-7-oxocyclohepta-1,3,5-trien-1-yl)amino]-2-phenylpyrazol-3-one, (7E)-7-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)iminio]-4-nitrocyclohepta-1,3,5-trien-1-olate, 1,5-dimethyl-4-((4-nitro-7-oxocyclohepta-1,3,5-trien-1-yl)amino)-2-phenyl-1H-pyrazol-3(2H)-one, 1,5-dimethyl-4-[(4-nitro-7-oxocyclohepta-1,3,5-trien-1-yl)amino]-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
| Molecular Formula | C18H16N4O4 |
|---|---|
| Molecular Weight | 352.12 g/mol |
| LogP | 2.49642 |
| Topological Polar Surface Area | 99.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.11716 |
| Heavy Atoms | 26 |
| Complexity | 1100.4093 |
Chemical Identifiers
| CAS Number | 314040-30-7 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=CC=C(C=CC3=O)[N+](=O)[O-] |
Product Overview
BAS 01280727 (CAS 314040-30-7), with molecular formula C18H16N4O4 and molecular weight 352.12 g/mol. IUPAC: 1,5-dimethyl-4-[(4-nitro-7-oxocyclohepta-1,3,5-trien-1-yl)amino]-2-phenylpyrazol-3-one.
Chemical Property Profile of BAS 01280727
Property Insights of BAS 01280727
The XLogP value of 2.49642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01280727. The TPSA of 99.17 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01280727. Following Lipinski's Rule of Five, BAS 01280727 has 1 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 BAS 01280727?
The CAS number of BAS 01280727 is 314040-30-7.
What is the molecular formula of BAS 01280727?
The molecular formula of BAS 01280727 is C18H16N4O4.
What is the molecular weight of BAS 01280727?
The molecular weight of BAS 01280727 is 352.12 g/mol.
Where can I buy BAS 01280727?
You can request a quote for BAS 01280727 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01280727?
Yes, KEHONG BIO provides custom synthesis services for BAS 01280727 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.