9X-0261
TL;DR: 9X-0261 (CAS 866149-67-9) is a chemical compound with molecular formula C26H27N3O5 and molecular weight 461.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-nitro-4-[4-[(2-prop-2-enoxynaphthalen-1-yl)methyl]piperazin-1-yl]benzoate
Also Known As: 9X-0261, Methyl 3-nitro-4-[4-[(2-prop-2-enoxynaphthalen-1-yl)methyl]piperazin-1-yl]benzoate, methyl 4-(4-{[2-(allyloxy)-1-naphthyl]methyl}piperazino)-3-nitrobenzenecarboxylate, methyl 3-nitro-4-(4-{[2-(prop-2-en-1-yloxy)naphthalen-1-yl]methyl}piperazin-1-yl)benzoate, methyl3-nitro-4-(4-{[2-(prop-2-en-1-yloxy)naphthalen-1-yl]methyl}piperazin-1-yl)benzoate
| Molecular Formula | C26H27N3O5 |
|---|---|
| Molecular Weight | 461.20 g/mol |
| LogP | 4.4216 |
| Topological Polar Surface Area | 85.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 461.19507 |
| Heavy Atoms | 34 |
| Complexity | 1218.2817 |
Chemical Identifiers
| CAS Number | 866149-67-9 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=C(C=CC4=CC=CC=C43)OCC=C)[N+](=O)[O-] |
Product Overview
9X-0261 (CAS 866149-67-9), with molecular formula C26H27N3O5 and molecular weight 461.20 g/mol. IUPAC: methyl 3-nitro-4-[4-[(2-prop-2-enoxynaphthalen-1-yl)methyl]piperazin-1-yl]benzoate.
Chemical Property Profile of 9X-0261
Property Insights of 9X-0261
The XLogP value of 4.4216 indicates that 9X-0261 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 9X-0261. Following Lipinski's Rule of Five, 9X-0261 has 0 hydrogen bond donor(s) and 7 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 9X-0261?
The CAS number of 9X-0261 is 866149-67-9.
What is the molecular formula of 9X-0261?
The molecular formula of 9X-0261 is C26H27N3O5.
What is the molecular weight of 9X-0261?
The molecular weight of 9X-0261 is 461.20 g/mol.
Where can I buy 9X-0261?
You can request a quote for 9X-0261 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9X-0261?
Yes, KEHONG BIO provides custom synthesis services for 9X-0261 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.