BAS 00405086
TL;DR: BAS 00405086 (CAS 72425-89-9) is a chemical compound with molecular formula C18H16N4O3 and molecular weight 336.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dimethyl-4-[(3-nitrophenyl)methylideneamino]-2-phenylpyrazol-3-one
Also Known As: BAS 00405086, UPCMLD0ENAT0501-1050:001, 4-[N-(3'-nitrobenzalidene)amino]antipyrine, 1,5-Dimethyl-4-(3-nitrobenzylideneamino)-2-phenylpyrazolidin-3-one, 1,5-dimethyl-4-{[(3-nitrophenyl)methylidene]amino}-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
| Molecular Formula | C18H16N4O3 |
|---|---|
| Molecular Weight | 336.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.12225 |
| Heavy Atoms | 25 |
| Complexity | 590.0 |
Chemical Identifiers
| CAS Number | 72425-89-9 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | KJSZNFBWGBNEAU-UHFFFAOYSA-N |
Product Overview
BAS 00405086 (CAS 72425-89-9), with molecular formula C18H16N4O3 and molecular weight 336.12 g/mol. IUPAC: 1,5-dimethyl-4-[(3-nitrophenyl)methylideneamino]-2-phenylpyrazol-3-one.
Chemical Property Profile of BAS 00405086
Property Insights of BAS 00405086
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00405086. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00405086. Following Lipinski's Rule of Five, BAS 00405086 has 0 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 00405086?
The CAS number of BAS 00405086 is 72425-89-9.
What is the molecular formula of BAS 00405086?
The molecular formula of BAS 00405086 is C18H16N4O3.
What is the molecular weight of BAS 00405086?
The molecular weight of BAS 00405086 is 336.12 g/mol.
Where can I buy BAS 00405086?
You can request a quote for BAS 00405086 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00405086?
Yes, KEHONG BIO provides custom synthesis services for BAS 00405086 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.