BAS 00469314
TL;DR: BAS 00469314 (CAS 314293-29-3) is a chemical compound with molecular formula C25H17IN6O4S and molecular weight 624.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-iodophenyl)diazenyl]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)-1H-pyrazol-3-one
Also Known As: BAS 00469314, (4E)-4-[2-(4-IODOPHENYL)HYDRAZIN-1-YLIDENE]-1-[4-(4-METHOXYPHENYL)-1,3-THIAZOL-2-YL]-3-(4-NITROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-5-ONE, 4-[(4-iodophenyl)hydrazono]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one, (4E)-4-[(4-iodophenyl)hydrazinylidene]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)pyrazol-3-one, (4Z)-4-[(4-iodophenyl)hydrazinylidene]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)pyrazol-3-one
| Molecular Formula | C25H17IN6O4S |
|---|---|
| Molecular Weight | 624.01 g/mol |
| LogP | 6.8929 |
| Topological Polar Surface Area | 127.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 624.0077 |
| Heavy Atoms | 37 |
| Complexity | 1655.5901 |
Chemical Identifiers
| CAS Number | 314293-29-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(=C(N3)C4=CC=C(C=C4)[N+](=O)[O-])N=NC5=CC=C(C=C5)I |
Product Overview
BAS 00469314 (CAS 314293-29-3), with molecular formula C25H17IN6O4S and molecular weight 624.01 g/mol. IUPAC: 4-[(4-iodophenyl)diazenyl]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)-1H-pyrazol-3-one.
Chemical Property Profile of BAS 00469314
Property Insights of BAS 00469314
The XLogP value of 6.8929 indicates that BAS 00469314 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.77 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00469314. Following Lipinski's Rule of Five, BAS 00469314 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00469314?
The CAS number of BAS 00469314 is 314293-29-3.
What is the molecular formula of BAS 00469314?
The molecular formula of BAS 00469314 is C25H17IN6O4S.
What is the molecular weight of BAS 00469314?
The molecular weight of BAS 00469314 is 624.01 g/mol.
Where can I buy BAS 00469314?
You can request a quote for BAS 00469314 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00469314?
Yes, KEHONG BIO provides custom synthesis services for BAS 00469314 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.