A3008/0126766
TL;DR: A3008/0126766 (CAS 439946-61-9) is a chemical compound with molecular formula C22H29N5O5S and molecular weight 475.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-4-nitrophenyl]-4-methylsulfonylpiperazine
Also Known As: A3008/0126766, 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-4-nitrophenyl]-4-methylsulfonylpiperazine, 1-(2-methoxyphenyl)-4-{5-[4-(methylsulfonyl)piperazin-1-yl]-2-nitrophenyl}piperazine, 1-[5-(4-METHANESULFONYLPIPERAZIN-1-YL)-2-NITROPHENYL]-4-(2-METHOXYPHENYL)PIPERAZINE
| Molecular Formula | C22H29N5O5S |
|---|---|
| Molecular Weight | 475.19 g/mol |
| LogP | 2.0116 |
| Topological Polar Surface Area | 99.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.18893 |
| Heavy Atoms | 33 |
| Complexity | 1109.9097 |
Chemical Identifiers
| CAS Number | 439946-61-9 |
|---|---|
| SMILES | COC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)C)[N+](=O)[O-] |
Product Overview
A3008/0126766 (CAS 439946-61-9), with molecular formula C22H29N5O5S and molecular weight 475.19 g/mol. IUPAC: 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-4-nitrophenyl]-4-methylsulfonylpiperazine.
Chemical Property Profile of A3008/0126766
Property Insights of A3008/0126766
The XLogP value of 2.0116 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3008/0126766. The TPSA of 99.47 Ų falls within the moderate polarity range, balancing permeability and solubility for A3008/0126766. Following Lipinski's Rule of Five, A3008/0126766 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 A3008/0126766?
The CAS number of A3008/0126766 is 439946-61-9.
What is the molecular formula of A3008/0126766?
The molecular formula of A3008/0126766 is C22H29N5O5S.
What is the molecular weight of A3008/0126766?
The molecular weight of A3008/0126766 is 475.19 g/mol.
Where can I buy A3008/0126766?
You can request a quote for A3008/0126766 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3008/0126766?
Yes, KEHONG BIO provides custom synthesis services for A3008/0126766 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.