AB00112755-01
TL;DR: AB00112755-01 (CAS 430450-57-0) is a chemical compound with molecular formula C22H21BrN4O4 and molecular weight 484.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromophenyl)-[4-[3-(furan-2-ylmethylamino)-4-nitrophenyl]piperazin-1-yl]methanone
Also Known As: AB00112755-01, (2-bromophenyl)-[4-[3-(furan-2-ylmethylamino)-4-nitrophenyl]piperazin-1-yl]methanone, 2-bromophenyl 4-{3-[(2-furylmethyl)amino]-4-nitrophenyl}piperazinyl ketone, (2-bromophenyl)(4-{3-[(furan-2-ylmethyl)amino]-4-nitrophenyl}piperazin-1-yl)methanone, (2-bromophenyl)-[4-[3-(2-furylmethylamino)-4-nitro-phenyl]piperazin-1-yl]methanone
| Molecular Formula | C22H21BrN4O4 |
|---|---|
| Molecular Weight | 484.07 g/mol |
| LogP | 4.5248 |
| Topological Polar Surface Area | 91.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 484.07462 |
| Heavy Atoms | 31 |
| Complexity | 1078.8748 |
Chemical Identifiers
| CAS Number | 430450-57-0 |
|---|---|
| SMILES | C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3)C(=O)C4=CC=CC=C4Br |
Product Overview
AB00112755-01 (CAS 430450-57-0), with molecular formula C22H21BrN4O4 and molecular weight 484.07 g/mol. IUPAC: (2-bromophenyl)-[4-[3-(furan-2-ylmethylamino)-4-nitrophenyl]piperazin-1-yl]methanone.
Chemical Property Profile of AB00112755-01
Property Insights of AB00112755-01
The XLogP value of 4.5248 indicates that AB00112755-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.86 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00112755-01. Following Lipinski's Rule of Five, AB00112755-01 has 1 hydrogen bond donor(s) and 6 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 AB00112755-01?
The CAS number of AB00112755-01 is 430450-57-0.
What is the molecular formula of AB00112755-01?
The molecular formula of AB00112755-01 is C22H21BrN4O4.
What is the molecular weight of AB00112755-01?
The molecular weight of AB00112755-01 is 484.07 g/mol.
Where can I buy AB00112755-01?
You can request a quote for AB00112755-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00112755-01?
Yes, KEHONG BIO provides custom synthesis services for AB00112755-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.