BAS 00417368
TL;DR: BAS 00417368 (CAS 469889-41-6) is a chemical compound with molecular formula C19H14BrN5O2S and molecular weight 455.01 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]-4-[(3-hydroxyphenyl)diazenyl]-5-methyl-4H-pyrazol-3-one
Also Known As: BAS 00417368, (E)-1-(4-(4-Bromophenyl)thiazol-2-yl)-4-((3-hydroxyphenyl)diazenyl)-3-methyl-1H-pyrazol-5(4H)-one, 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-[(3-hydroxyphenyl)diazenyl]-5-methyl-4H-pyrazol-3-one, 1-[4-(4-bromophenyl)(1,3-thiazol-2-yl)]-4-[(3-hydroxyphenyl)diazenyl]-3-methyl -2-pyrazolin-5-one, 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-[(3-hydroxyphenyl)diazenyl]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C19H14BrN5O2S |
|---|---|
| Molecular Weight | 455.01 g/mol |
| LogP | 5.1532 |
| Topological Polar Surface Area | 90.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.00516 |
| Heavy Atoms | 28 |
| Complexity | 1093.7133 |
Chemical Identifiers
| CAS Number | 469889-41-6 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=CC(=CC=C2)O)C3=NC(=CS3)C4=CC=C(C=C4)Br |
Product Overview
BAS 00417368 (CAS 469889-41-6), with molecular formula C19H14BrN5O2S and molecular weight 455.01 g/mol. IUPAC: 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-[(3-hydroxyphenyl)diazenyl]-5-methyl-4H-pyrazol-3-one.
Chemical Property Profile of BAS 00417368
Property Insights of BAS 00417368
The XLogP value of 5.1532 indicates that BAS 00417368 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.51 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00417368. Following Lipinski's Rule of Five, BAS 00417368 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 00417368?
The CAS number of BAS 00417368 is 469889-41-6.
What is the molecular formula of BAS 00417368?
The molecular formula of BAS 00417368 is C19H14BrN5O2S.
What is the molecular weight of BAS 00417368?
The molecular weight of BAS 00417368 is 455.01 g/mol.
Where can I buy BAS 00417368?
You can request a quote for BAS 00417368 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00417368?
Yes, KEHONG BIO provides custom synthesis services for BAS 00417368 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.