A3045/0128542
TL;DR: A3045/0128542 (CAS 432537-41-2) is a chemical compound with molecular formula C23H31N5O5S and molecular weight 489.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(4-ethylsulfonylpiperazin-1-yl)-2-nitrophenyl]-4-(4-methoxyphenyl)piperazine
Also Known As: A3045/0128542, 1-[5-(4-ethylsulfonylpiperazin-1-yl)-2-nitrophenyl]-4-(4-methoxyphenyl)piperazine, 1-(ethylsulfonyl)-4-{3-[4-(4-methoxyphenyl)piperazin-1-yl]-4-nitrophenyl}piperazine, 1-{5-[4-(ETHANESULFONYL)PIPERAZIN-1-YL]-2-NITROPHENYL}-4-(4-METHOXYPHENYL)PIPERAZINE
| Molecular Formula | C23H31N5O5S |
|---|---|
| Molecular Weight | 489.20 g/mol |
| LogP | 2.4017 |
| Topological Polar Surface Area | 99.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.2046 |
| Heavy Atoms | 34 |
| Complexity | 1109.0708 |
Chemical Identifiers
| CAS Number | 432537-41-2 |
|---|---|
| SMILES | CCS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)OC |
Product Overview
A3045/0128542 (CAS 432537-41-2), with molecular formula C23H31N5O5S and molecular weight 489.20 g/mol. IUPAC: 1-[5-(4-ethylsulfonylpiperazin-1-yl)-2-nitrophenyl]-4-(4-methoxyphenyl)piperazine.
Chemical Property Profile of A3045/0128542
Property Insights of A3045/0128542
The XLogP value of 2.4017 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3045/0128542. The TPSA of 99.47 Ų falls within the moderate polarity range, balancing permeability and solubility for A3045/0128542. Following Lipinski's Rule of Five, A3045/0128542 has 0 hydrogen bond donor(s) and 8 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 A3045/0128542?
The CAS number of A3045/0128542 is 432537-41-2.
What is the molecular formula of A3045/0128542?
The molecular formula of A3045/0128542 is C23H31N5O5S.
What is the molecular weight of A3045/0128542?
The molecular weight of A3045/0128542 is 489.20 g/mol.
Where can I buy A3045/0128542?
You can request a quote for A3045/0128542 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3045/0128542?
Yes, KEHONG BIO provides custom synthesis services for A3045/0128542 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.