BAS 03058408
TL;DR: BAS 03058408 (CAS 451461-44-2) is a chemical compound with molecular formula C24H28N6O4 and molecular weight 464.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methoxyphenyl)-4-[C-methyl-N-(2-piperazin-1-ylethyl)carbonimidoyl]-2-(4-nitrophenyl)-1H-pyrazol-3-one
Also Known As: BAS 03058408, (4E)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-(1-{[2-(piperazin-1-yl)ethyl]amino}ethylidene)-2,4-dihydro-3H-pyrazol-3-one, 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-{(1E)-N-[2-(piperazin-1-yl)ethyl]ethanimidoyl}-1,2-dihydro-3H-pyrazol-3-one, (4E)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-[1-(2-piperazin-1-ylethylamino)ethylidene]pyrazol-3-one, (4Z)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-[1-(2-piperazin-1-ylethylamino)ethylidene]pyrazol-3-one
| Molecular Formula | C24H28N6O4 |
|---|---|
| Molecular Weight | 464.22 g/mol |
| LogP | 2.4636 |
| Topological Polar Surface Area | 117.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 464.2172 |
| Heavy Atoms | 34 |
| Complexity | 1221.8442 |
Chemical Identifiers
| CAS Number | 451461-44-2 |
|---|---|
| SMILES | CC(=NCCN1CCNCC1)C2=C(NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)OC |
Product Overview
BAS 03058408 (CAS 451461-44-2), with molecular formula C24H28N6O4 and molecular weight 464.22 g/mol. IUPAC: 5-(4-methoxyphenyl)-4-[C-methyl-N-(2-piperazin-1-ylethyl)carbonimidoyl]-2-(4-nitrophenyl)-1H-pyrazol-3-one.
Chemical Property Profile of BAS 03058408
Property Insights of BAS 03058408
The XLogP value of 2.4636 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03058408. The TPSA of 117.79 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03058408. Following Lipinski's Rule of Five, BAS 03058408 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 03058408?
The CAS number of BAS 03058408 is 451461-44-2.
What is the molecular formula of BAS 03058408?
The molecular formula of BAS 03058408 is C24H28N6O4.
What is the molecular weight of BAS 03058408?
The molecular weight of BAS 03058408 is 464.22 g/mol.
Where can I buy BAS 03058408?
You can request a quote for BAS 03058408 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03058408?
Yes, KEHONG BIO provides custom synthesis services for BAS 03058408 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.