A3008/0126763
TL;DR: A3008/0126763 (CAS 439946-56-2) is a chemical compound with molecular formula C27H31N5O5S and molecular weight 537.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-4-nitrophenyl]piperazine
Also Known As: A3008/0126763, 1-(benzenesulfonyl)-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-4-nitrophenyl]piperazine, 1-(2-methoxyphenyl)-4-{2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]phenyl}piperazine, 1-{5-[4-(BENZENESULFONYL)PIPERAZIN-1-YL]-2-NITROPHENYL}-4-(2-METHOXYPHENYL)PIPERAZINE
| Molecular Formula | C27H31N5O5S |
|---|---|
| Molecular Weight | 537.20 g/mol |
| LogP | 3.4409 |
| Topological Polar Surface Area | 99.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 537.2046 |
| Heavy Atoms | 38 |
| Complexity | 1385.977 |
Chemical Identifiers
| CAS Number | 439946-56-2 |
|---|---|
| SMILES | COC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5)[N+](=O)[O-] |
Product Overview
A3008/0126763 (CAS 439946-56-2), with molecular formula C27H31N5O5S and molecular weight 537.20 g/mol. IUPAC: 1-(benzenesulfonyl)-4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-4-nitrophenyl]piperazine.
Chemical Property Profile of A3008/0126763
Property Insights of A3008/0126763
The XLogP value of 3.4409 indicates that A3008/0126763 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.47 Ų falls within the moderate polarity range, balancing permeability and solubility for A3008/0126763. Following Lipinski's Rule of Five, A3008/0126763 has 0 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 A3008/0126763?
The CAS number of A3008/0126763 is 439946-56-2.
What is the molecular formula of A3008/0126763?
The molecular formula of A3008/0126763 is C27H31N5O5S.
What is the molecular weight of A3008/0126763?
The molecular weight of A3008/0126763 is 537.20 g/mol.
Where can I buy A3008/0126763?
You can request a quote for A3008/0126763 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3008/0126763?
Yes, KEHONG BIO provides custom synthesis services for A3008/0126763 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.