BAS 00536819
TL;DR: BAS 00536819 (CAS 314758-96-8) is a chemical compound with molecular formula C20H15BrN6O3S and molecular weight 498.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-methyl-4-[(2-methyl-6-nitrophenyl)diazenyl]-1H-pyrazol-3-one
Also Known As: BAS 00536819, (4Z)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-methyl-4-[2-(2-methyl-6-nitrophenyl)hydrazinylidene]-2,4-dihydro-3H-pyrazol-3-one, 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-methyl-4-[(2-methyl-6-nitrophenyl)hydrazono]-2,4-dihydro-3H-pyrazol-3-one, (4E)-1-[4-(4-BROMOPHENYL)-1,3-THIAZOL-2-YL]-3-METHYL-4-[2-(2-METHYL-6-NITROPHENYL)HYDRAZIN-1-YLIDENE]-4,5-DIHYDRO-1H-PYRAZOL-5-ONE, (4E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-methyl-4-[(2-methyl-6-nitrophenyl)hydrazinylidene]pyrazol-3-one
| Molecular Formula | C20H15BrN6O3S |
|---|---|
| Molecular Weight | 498.01 g/mol |
| LogP | 5.99204 |
| Topological Polar Surface Area | 118.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 498.01096 |
| Heavy Atoms | 31 |
| Complexity | 1370.5657 |
Chemical Identifiers
| CAS Number | 314758-96-8 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)[N+](=O)[O-])N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=C(C=C4)Br)C |
Product Overview
BAS 00536819 (CAS 314758-96-8), with molecular formula C20H15BrN6O3S and molecular weight 498.01 g/mol. IUPAC: 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-methyl-4-[(2-methyl-6-nitrophenyl)diazenyl]-1H-pyrazol-3-one.
Chemical Property Profile of BAS 00536819
Property Insights of BAS 00536819
The XLogP value of 5.99204 indicates that BAS 00536819 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00536819. Following Lipinski's Rule of Five, BAS 00536819 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00536819?
The CAS number of BAS 00536819 is 314758-96-8.
What is the molecular formula of BAS 00536819?
The molecular formula of BAS 00536819 is C20H15BrN6O3S.
What is the molecular weight of BAS 00536819?
The molecular weight of BAS 00536819 is 498.01 g/mol.
Where can I buy BAS 00536819?
You can request a quote for BAS 00536819 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00536819?
Yes, KEHONG BIO provides custom synthesis services for BAS 00536819 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.