AB00096138-01
TL;DR: AB00096138-01 (CAS 330634-12-3) is a chemical compound with molecular formula C22H23ClF2N4O3 and molecular weight 464.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-4,5-difluorophenyl)-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]methanone
Also Known As: AB00096138-01, (2-chloro-4,5-difluorophenyl)-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]methanone, (2-chloro-4,5-difluorophenyl)(4-(4-nitro-3-(piperidin-1-yl)phenyl)piperazin-1-yl)methanone, (2-chloro-4,5-difluorophenyl){4-[4-nitro-3-(piperidin-1-yl)phenyl]piperazin-1-yl}methanone, 1-(2-chloro-4,5-difluorobenzoyl)-4-[4-nitro-3-(1-piperidinyl)phenyl]piperazine
| Molecular Formula | C22H23ClF2N4O3 |
|---|---|
| Molecular Weight | 464.14 g/mol |
| LogP | 4.4791 |
| Topological Polar Surface Area | 69.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 464.14267 |
| Heavy Atoms | 32 |
| Complexity | 1038.0763 |
Chemical Identifiers
| CAS Number | 330634-12-3 |
|---|---|
| SMILES | C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4Cl)F)F)[N+](=O)[O-] |
Product Overview
AB00096138-01 (CAS 330634-12-3), with molecular formula C22H23ClF2N4O3 and molecular weight 464.14 g/mol. IUPAC: (2-chloro-4,5-difluorophenyl)-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]methanone.
Chemical Property Profile of AB00096138-01
Property Insights of AB00096138-01
The XLogP value of 4.4791 indicates that AB00096138-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.93 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00096138-01. Following Lipinski's Rule of Five, AB00096138-01 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 AB00096138-01?
The CAS number of AB00096138-01 is 330634-12-3.
What is the molecular formula of AB00096138-01?
The molecular formula of AB00096138-01 is C22H23ClF2N4O3.
What is the molecular weight of AB00096138-01?
The molecular weight of AB00096138-01 is 464.14 g/mol.
Where can I buy AB00096138-01?
You can request a quote for AB00096138-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00096138-01?
Yes, KEHONG BIO provides custom synthesis services for AB00096138-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.