A3045/0128539
TL;DR: A3045/0128539 (CAS 440097-73-4) is a chemical compound with molecular formula C24H33N5O5S and molecular weight 503.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(3-morpholin-4-ylpropyl)-2-nitroaniline
Also Known As: A3045/0128539, 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(3-morpholin-4-ylpropyl)-2-nitroaniline, 5-[4-(4-METHYLBENZENESULFONYL)PIPERAZIN-1-YL]-N-[3-(MORPHOLIN-4-YL)PROPYL]-2-NITROANILINE, 5-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}-N-[3-(morpholin-4-yl)propyl]-2-nitroaniline
| Molecular Formula | C24H33N5O5S |
|---|---|
| Molecular Weight | 503.22 g/mol |
| LogP | 2.54832 |
| Topological Polar Surface Area | 108.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 503.22025 |
| Heavy Atoms | 35 |
| Complexity | 1111.6248 |
Chemical Identifiers
| CAS Number | 440097-73-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCCCN4CCOCC4 |
Product Overview
A3045/0128539 (CAS 440097-73-4), with molecular formula C24H33N5O5S and molecular weight 503.22 g/mol. IUPAC: 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(3-morpholin-4-ylpropyl)-2-nitroaniline.
Chemical Property Profile of A3045/0128539
Property Insights of A3045/0128539
The XLogP value of 2.54832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3045/0128539. The TPSA of 108.26 Ų falls within the moderate polarity range, balancing permeability and solubility for A3045/0128539. Following Lipinski's Rule of Five, A3045/0128539 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 A3045/0128539?
The CAS number of A3045/0128539 is 440097-73-4.
What is the molecular formula of A3045/0128539?
The molecular formula of A3045/0128539 is C24H33N5O5S.
What is the molecular weight of A3045/0128539?
The molecular weight of A3045/0128539 is 503.22 g/mol.
Where can I buy A3045/0128539?
You can request a quote for A3045/0128539 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3045/0128539?
Yes, KEHONG BIO provides custom synthesis services for A3045/0128539 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.