BAS 00280514
TL;DR: BAS 00280514 (CAS 934348-62-6) is a chemical compound with molecular formula C18H17N3O3 and molecular weight 323.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,4-dihydroxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: BAS 00280514, UPCMLD0ENAT0501-1042:001, J1.384.284A, (E)-4-((2,4-dihydroxybenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one, 1,5-Dimethyl-2-phenyl-4-[(2,4-dihydroxybenzylidene)amino]-1H-pyrazole-3(2H)-one
| Molecular Formula | C18H17N3O3 |
|---|---|
| Molecular Weight | 323.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 76.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.12698 |
| Heavy Atoms | 24 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 934348-62-6 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=C(C=C(C=C3)O)O |
| InChIKey | ZEQOCKGPOZWQGS-UHFFFAOYSA-N |
Product Overview
BAS 00280514 (CAS 934348-62-6), with molecular formula C18H17N3O3 and molecular weight 323.13 g/mol. IUPAC: 4-[(2,4-dihydroxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of BAS 00280514
Property Insights of BAS 00280514
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00280514. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00280514. Following Lipinski's Rule of Five, BAS 00280514 has 2 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 00280514?
The CAS number of BAS 00280514 is 934348-62-6.
What is the molecular formula of BAS 00280514?
The molecular formula of BAS 00280514 is C18H17N3O3.
What is the molecular weight of BAS 00280514?
The molecular weight of BAS 00280514 is 323.13 g/mol.
Where can I buy BAS 00280514?
You can request a quote for BAS 00280514 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00280514?
Yes, KEHONG BIO provides custom synthesis services for BAS 00280514 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.