A3045/0128533
TL;DR: A3045/0128533 (CAS 440097-71-2) is a chemical compound with molecular formula C28H33N5O4S and molecular weight 535.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-[5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitrophenyl]piperazine
Also Known As: A3045/0128533, 1-benzyl-4-[5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitrophenyl]piperazine, 1-[3-(4-BENZYLPIPERAZIN-1-YL)-4-NITROPHENYL]-4-(4-METHYLBENZENESULFONYL)PIPERAZINE, 1-benzyl-4-(5-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}-2-nitrophenyl)piperazine
| Molecular Formula | C28H33N5O4S |
|---|---|
| Molecular Weight | 535.23 g/mol |
| LogP | 3.73632 |
| Topological Polar Surface Area | 90.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 535.22534 |
| Heavy Atoms | 38 |
| Complexity | 1366.1128 |
Chemical Identifiers
| CAS Number | 440097-71-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCN(CC4)CC5=CC=CC=C5 |
Product Overview
A3045/0128533 (CAS 440097-71-2), with molecular formula C28H33N5O4S and molecular weight 535.23 g/mol. IUPAC: 1-benzyl-4-[5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitrophenyl]piperazine.
Chemical Property Profile of A3045/0128533
Property Insights of A3045/0128533
The XLogP value of 3.73632 indicates that A3045/0128533 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.24 Ų falls within the moderate polarity range, balancing permeability and solubility for A3045/0128533. Following Lipinski's Rule of Five, A3045/0128533 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3045/0128533?
The CAS number of A3045/0128533 is 440097-71-2.
What is the molecular formula of A3045/0128533?
The molecular formula of A3045/0128533 is C28H33N5O4S.
What is the molecular weight of A3045/0128533?
The molecular weight of A3045/0128533 is 535.23 g/mol.
Where can I buy A3045/0128533?
You can request a quote for A3045/0128533 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3045/0128533?
Yes, KEHONG BIO provides custom synthesis services for A3045/0128533 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.