A2391/0101209
TL;DR: A2391/0101209 (CAS 347355-18-4) is a chemical compound with molecular formula C26H27ClN4O4 and molecular weight 494.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[3-[2-(4-chlorophenoxy)ethylamino]-4-nitrophenyl]piperazin-1-yl]-(4-methylphenyl)methanone
Also Known As: A2391/0101209, [4-[3-[2-(4-chlorophenoxy)ethylamino]-4-nitrophenyl]piperazin-1-yl]-(4-methylphenyl)methanone, (4-(3-((2-(4-chlorophenoxy)ethyl)amino)-4-nitrophenyl)piperazin-1-yl)(p-tolyl)methanone, 4-(3-{[2-(4-chlorophenoxy)ethyl]amino}-4-nitrophenyl)piperazinyl 4-methylpheny l ketone, N-[2-(4-CHLOROPHENOXY)ETHYL]-5-[4-(4-METHYLBENZOYL)PIPERAZIN-1-YL]-2-NITROANILINE
| Molecular Formula | C26H27ClN4O4 |
|---|---|
| Molecular Weight | 494.17 g/mol |
| LogP | 5.00992 |
| Topological Polar Surface Area | 87.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 494.1721 |
| Heavy Atoms | 35 |
| Complexity | 1176.961 |
Chemical Identifiers
| CAS Number | 347355-18-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCCOC4=CC=C(C=C4)Cl |
Product Overview
A2391/0101209 (CAS 347355-18-4), with molecular formula C26H27ClN4O4 and molecular weight 494.17 g/mol. IUPAC: [4-[3-[2-(4-chlorophenoxy)ethylamino]-4-nitrophenyl]piperazin-1-yl]-(4-methylphenyl)methanone.
Chemical Property Profile of A2391/0101209
Property Insights of A2391/0101209
The XLogP value of 5.00992 indicates that A2391/0101209 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.95 Ų falls within the moderate polarity range, balancing permeability and solubility for A2391/0101209. Following Lipinski's Rule of Five, A2391/0101209 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2391/0101209?
The CAS number of A2391/0101209 is 347355-18-4.
What is the molecular formula of A2391/0101209?
The molecular formula of A2391/0101209 is C26H27ClN4O4.
What is the molecular weight of A2391/0101209?
The molecular weight of A2391/0101209 is 494.17 g/mol.
Where can I buy A2391/0101209?
You can request a quote for A2391/0101209 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2391/0101209?
Yes, KEHONG BIO provides custom synthesis services for A2391/0101209 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.