BAS 00477841
TL;DR: BAS 00477841 (CAS 314760-59-3) is a chemical compound with molecular formula C26H19N5O3S and molecular weight 481.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[3-oxo-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate
Also Known As: BAS 00477841, methyl 4-{2-[5-oxo-3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazino}benzoate, methyl 4-[(2E)-2-[5-oxo-3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-4-ylidene]hydrazinyl]benzoate, methyl 4-[(2Z)-2-[5-oxo-3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-4-ylidene]hydrazinyl]benzoate, methyl 4-[2-[5-oxo-3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-4-ylidene]hydrazinyl]benzoate
| Molecular Formula | C26H19N5O3S |
|---|---|
| Molecular Weight | 481.12 g/mol |
| LogP | 6.1581 |
| Topological Polar Surface Area | 101.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 481.12085 |
| Heavy Atoms | 35 |
| Complexity | 1552.355 |
Chemical Identifiers
| CAS Number | 314760-59-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
BAS 00477841 (CAS 314760-59-3), with molecular formula C26H19N5O3S and molecular weight 481.12 g/mol. IUPAC: methyl 4-[[3-oxo-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate.
Chemical Property Profile of BAS 00477841
Property Insights of BAS 00477841
The XLogP value of 6.1581 indicates that BAS 00477841 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00477841. Following Lipinski's Rule of Five, BAS 00477841 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 00477841?
The CAS number of BAS 00477841 is 314760-59-3.
What is the molecular formula of BAS 00477841?
The molecular formula of BAS 00477841 is C26H19N5O3S.
What is the molecular weight of BAS 00477841?
The molecular weight of BAS 00477841 is 481.12 g/mol.
Where can I buy BAS 00477841?
You can request a quote for BAS 00477841 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00477841?
Yes, KEHONG BIO provides custom synthesis services for BAS 00477841 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.