BAS 00442548
TL;DR: BAS 00442548 (CAS 332400-97-2) is a chemical compound with molecular formula C25H23FN8O3 and molecular weight 502.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-(4-fluorophenyl)-2-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
Also Known As: BAS 00442548, 4-N-(4-fluorophenyl)-2-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine, 5-{2-nitrophenyl}-2-furaldehyde [4-(4-fluoroanilino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazone
| Molecular Formula | C25H23FN8O3 |
|---|---|
| Molecular Weight | 502.19 g/mol |
| LogP | 5.3588 |
| Topological Polar Surface Area | 134.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 502.1877 |
| Heavy Atoms | 37 |
| Complexity | 1417.7213 |
Chemical Identifiers
| CAS Number | 332400-97-2 |
|---|---|
| SMILES | C1CCN(CC1)C2=NC(=NC(=N2)N/N=C/C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-])NC5=CC=C(C=C5)F |
Product Overview
BAS 00442548 (CAS 332400-97-2), with molecular formula C25H23FN8O3 and molecular weight 502.19 g/mol. IUPAC: 4-N-(4-fluorophenyl)-2-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of BAS 00442548
Property Insights of BAS 00442548
The XLogP value of 5.3588 indicates that BAS 00442548 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.61 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00442548. Following Lipinski's Rule of Five, BAS 00442548 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00442548?
The CAS number of BAS 00442548 is 332400-97-2.
What is the molecular formula of BAS 00442548?
The molecular formula of BAS 00442548 is C25H23FN8O3.
What is the molecular weight of BAS 00442548?
The molecular weight of BAS 00442548 is 502.19 g/mol.
Where can I buy BAS 00442548?
You can request a quote for BAS 00442548 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00442548?
Yes, KEHONG BIO provides custom synthesis services for BAS 00442548 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.