AB00109206-01
TL;DR: AB00109206-01 (CAS 347311-81-3) is a chemical compound with molecular formula C23H30N4O5 and molecular weight 442.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]propan-1-one
Also Known As: AB00109206-01, 1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]propan-1-one, 1-(4-(3-((3,4-dimethoxyphenethyl)amino)-4-nitrophenyl)piperazin-1-yl)propan-1-one, 1-[4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl]propan-1-one, 1-[4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-nitrophenyl)piperazinyl]propan -1-one
| Molecular Formula | C23H30N4O5 |
|---|---|
| Molecular Weight | 442.22 g/mol |
| LogP | 3.3252 |
| Topological Polar Surface Area | 97.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 442.22162 |
| Heavy Atoms | 32 |
| Complexity | 957.3981 |
Chemical Identifiers
| CAS Number | 347311-81-3 |
|---|---|
| SMILES | CCC(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCCC3=CC(=C(C=C3)OC)OC |
Product Overview
AB00109206-01 (CAS 347311-81-3), with molecular formula C23H30N4O5 and molecular weight 442.22 g/mol. IUPAC: 1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]propan-1-one.
Chemical Property Profile of AB00109206-01
Property Insights of AB00109206-01
The XLogP value of 3.3252 indicates that AB00109206-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.18 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00109206-01. Following Lipinski's Rule of Five, AB00109206-01 has 1 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 AB00109206-01?
The CAS number of AB00109206-01 is 347311-81-3.
What is the molecular formula of AB00109206-01?
The molecular formula of AB00109206-01 is C23H30N4O5.
What is the molecular weight of AB00109206-01?
The molecular weight of AB00109206-01 is 442.22 g/mol.
Where can I buy AB00109206-01?
You can request a quote for AB00109206-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00109206-01?
Yes, KEHONG BIO provides custom synthesis services for AB00109206-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.