BAS 00417351
TL;DR: BAS 00417351 (CAS 459790-26-2) is a chemical compound with molecular formula C21H19N5O3S and molecular weight 421.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-(hydroxymethyl)phenyl]diazenyl]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4H-pyrazol-3-one
Also Known As: BAS 00417351, (E)-4-((3-(hydroxymethyl)phenyl)diazenyl)-1-(4-(4-methoxyphenyl)thiazol-2-yl)-3-methyl-1H-pyrazol-5(4H)-one, 4-[[3-(hydroxymethyl)phenyl]diazenyl]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4H-pyrazol-3-one, 4-{[3-(hydroxymethyl)phenyl]diazenyl}-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-2,4-dihydro-3H-pyrazol-3-one, 4-{(E)-[3-(hydroxymethyl)phenyl]diazenyl}-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C21H19N5O3S |
|---|---|
| Molecular Weight | 421.12 g/mol |
| LogP | 4.186 |
| Topological Polar Surface Area | 99.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.12085 |
| Heavy Atoms | 30 |
| Complexity | 1123.6803 |
Chemical Identifiers
| CAS Number | 459790-26-2 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=CC=CC(=C2)CO)C3=NC(=CS3)C4=CC=C(C=C4)OC |
Product Overview
BAS 00417351 (CAS 459790-26-2), with molecular formula C21H19N5O3S and molecular weight 421.12 g/mol. IUPAC: 4-[[3-(hydroxymethyl)phenyl]diazenyl]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4H-pyrazol-3-one.
Chemical Property Profile of BAS 00417351
Property Insights of BAS 00417351
The XLogP value of 4.186 indicates that BAS 00417351 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.74 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00417351. Following Lipinski's Rule of Five, BAS 00417351 has 1 hydrogen bond donor(s) and 8 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 00417351?
The CAS number of BAS 00417351 is 459790-26-2.
What is the molecular formula of BAS 00417351?
The molecular formula of BAS 00417351 is C21H19N5O3S.
What is the molecular weight of BAS 00417351?
The molecular weight of BAS 00417351 is 421.12 g/mol.
Where can I buy BAS 00417351?
You can request a quote for BAS 00417351 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00417351?
Yes, KEHONG BIO provides custom synthesis services for BAS 00417351 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.