BAS 00477748
TL;DR: BAS 00477748 (CAS 314759-40-5) is a chemical compound with molecular formula C18H16N6O4S and molecular weight 412.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-ethoxyphenyl)diazenyl]-5-(4-nitrophenyl)-3-oxo-1H-pyrazole-2-carbothioamide
Also Known As: BAS 00477748, AN-329/40210073, (4E)-4-[2-(4-ethoxyphenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide, (4E)-4-[(4-ethoxyphenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxopyrazole-1-carbothioamide, 4-[(4-ethoxyphenyl)hydrazono]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
| Molecular Formula | C18H16N6O4S |
|---|---|
| Molecular Weight | 412.10 g/mol |
| LogP | 3.6574 |
| Topological Polar Surface Area | 140.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.09537 |
| Heavy Atoms | 29 |
| Complexity | 1132.6532 |
Chemical Identifiers
| CAS Number | 314759-40-5 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N=NC2=C(NN(C2=O)C(=S)N)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
BAS 00477748 (CAS 314759-40-5), with molecular formula C18H16N6O4S and molecular weight 412.10 g/mol. IUPAC: 4-[(4-ethoxyphenyl)diazenyl]-5-(4-nitrophenyl)-3-oxo-1H-pyrazole-2-carbothioamide.
Chemical Property Profile of BAS 00477748
Property Insights of BAS 00477748
The XLogP value of 3.6574 indicates that BAS 00477748 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.9 Ų indicates high polarity, suggesting BAS 00477748 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00477748 has 2 hydrogen bond donor(s) and 7 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 00477748?
The CAS number of BAS 00477748 is 314759-40-5.
What is the molecular formula of BAS 00477748?
The molecular formula of BAS 00477748 is C18H16N6O4S.
What is the molecular weight of BAS 00477748?
The molecular weight of BAS 00477748 is 412.10 g/mol.
Where can I buy BAS 00477748?
You can request a quote for BAS 00477748 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00477748?
Yes, KEHONG BIO provides custom synthesis services for BAS 00477748 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.