A2391/0101196
TL;DR: A2391/0101196 (CAS 347355-06-0) is a chemical compound with molecular formula C28H32N4O6 and molecular weight 520.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]-(2-methoxyphenyl)methanone
Also Known As: A2391/0101196, [4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]-(2-methoxyphenyl)methanone, N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(2-methoxybenzoyl)-1-piperazinyl]-2-nitroaniline, (4-(3-((3,4-dimethoxyphenethyl)amino)-4-nitrophenyl)piperazin-1-yl)(2-methoxyphenyl)methanone, [4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl](2-methoxyphenyl)methanone
| Molecular Formula | C28H32N4O6 |
|---|---|
| Molecular Weight | 520.23 g/mol |
| LogP | 4.2376 |
| Topological Polar Surface Area | 106.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 520.2322 |
| Heavy Atoms | 38 |
| Complexity | 1290.0856 |
Chemical Identifiers
| CAS Number | 347355-06-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4OC)[N+](=O)[O-])OC |
Product Overview
A2391/0101196 (CAS 347355-06-0), with molecular formula C28H32N4O6 and molecular weight 520.23 g/mol. IUPAC: [4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]-(2-methoxyphenyl)methanone.
Chemical Property Profile of A2391/0101196
Property Insights of A2391/0101196
The XLogP value of 4.2376 indicates that A2391/0101196 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.41 Ų falls within the moderate polarity range, balancing permeability and solubility for A2391/0101196. Following Lipinski's Rule of Five, A2391/0101196 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 A2391/0101196?
The CAS number of A2391/0101196 is 347355-06-0.
What is the molecular formula of A2391/0101196?
The molecular formula of A2391/0101196 is C28H32N4O6.
What is the molecular weight of A2391/0101196?
The molecular weight of A2391/0101196 is 520.23 g/mol.
Where can I buy A2391/0101196?
You can request a quote for A2391/0101196 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2391/0101196?
Yes, KEHONG BIO provides custom synthesis services for A2391/0101196 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.