AB00112591-01
TL;DR: AB00112591-01 (CAS 430448-76-3) is a chemical compound with molecular formula C22H22ClN5O3 and molecular weight 439.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]methanone
Also Known As: AB00112591-01, (4-chlorophenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]methanone, 1-(4-chlorobenzoyl)-4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazine, 4-[3-(3,5-dimethylpyrazolyl)-4-nitrophenyl]piperazinyl 4-chlorophenyl ketone, (4-chlorophenyl){4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}methanone
| Molecular Formula | C22H22ClN5O3 |
|---|---|
| Molecular Weight | 439.14 g/mol |
| LogP | 4.01314 |
| Topological Polar Surface Area | 84.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.1411 |
| Heavy Atoms | 31 |
| Complexity | 1134.5482 |
Chemical Identifiers
| CAS Number | 430448-76-3 |
|---|---|
| SMILES | CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl)[N+](=O)[O-])C |
Product Overview
AB00112591-01 (CAS 430448-76-3), with molecular formula C22H22ClN5O3 and molecular weight 439.14 g/mol. IUPAC: (4-chlorophenyl)-[4-[3-(3,5-dimethylpyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl]methanone.
Chemical Property Profile of AB00112591-01
Property Insights of AB00112591-01
The XLogP value of 4.01314 indicates that AB00112591-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.51 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00112591-01. Following Lipinski's Rule of Five, AB00112591-01 has 0 hydrogen bond donor(s) and 5 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 AB00112591-01?
The CAS number of AB00112591-01 is 430448-76-3.
What is the molecular formula of AB00112591-01?
The molecular formula of AB00112591-01 is C22H22ClN5O3.
What is the molecular weight of AB00112591-01?
The molecular weight of AB00112591-01 is 439.14 g/mol.
Where can I buy AB00112591-01?
You can request a quote for AB00112591-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00112591-01?
Yes, KEHONG BIO provides custom synthesis services for AB00112591-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.