AB00112758-01
TL;DR: AB00112758-01 (CAS 430450-89-8) is a chemical compound with molecular formula C22H21ClN4O4 and molecular weight 440.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)-[4-[3-(furan-2-ylmethylamino)-4-nitrophenyl]piperazin-1-yl]methanone
Also Known As: AB00112758-01, A3008/0126722, (4-chlorophenyl)-[4-[3-(furan-2-ylmethylamino)-4-nitrophenyl]piperazin-1-yl]methanone, (4-chlorophenyl)(4-{3-[(furan-2-ylmethyl)amino]-4-nitrophenyl}piperazin-1-yl)methanone, 5-[4-(4-CHLOROBENZOYL)PIPERAZIN-1-YL]-N-[(FURAN-2-YL)METHYL]-2-NITROANILINE
| Molecular Formula | C22H21ClN4O4 |
|---|---|
| Molecular Weight | 440.13 g/mol |
| LogP | 4.4157 |
| Topological Polar Surface Area | 91.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.12512 |
| Heavy Atoms | 31 |
| Complexity | 1061.6248 |
Chemical Identifiers
| CAS Number | 430450-89-8 |
|---|---|
| SMILES | C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3)C(=O)C4=CC=C(C=C4)Cl |
Product Overview
AB00112758-01 (CAS 430450-89-8), with molecular formula C22H21ClN4O4 and molecular weight 440.13 g/mol. IUPAC: (4-chlorophenyl)-[4-[3-(furan-2-ylmethylamino)-4-nitrophenyl]piperazin-1-yl]methanone.
Chemical Property Profile of AB00112758-01
Property Insights of AB00112758-01
The XLogP value of 4.4157 indicates that AB00112758-01 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 AB00112758-01. Following Lipinski's Rule of Five, AB00112758-01 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 AB00112758-01?
The CAS number of AB00112758-01 is 430450-89-8.
What is the molecular formula of AB00112758-01?
The molecular formula of AB00112758-01 is C22H21ClN4O4.
What is the molecular weight of AB00112758-01?
The molecular weight of AB00112758-01 is 440.13 g/mol.
Where can I buy AB00112758-01?
You can request a quote for AB00112758-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00112758-01?
Yes, KEHONG BIO provides custom synthesis services for AB00112758-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.