BIM-0045018.P001
TL;DR: BIM-0045018.P001 (CAS 312697-28-2) is a chemical compound with molecular formula C18H16ClF2N3O4 and molecular weight 411.08 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-methoxy-2-nitrophenyl)piperazin-1-yl]methanone
Also Known As: BIM-0045018.P001, AN-465/13570141, (2-chloro-4,5-difluorophenyl)-[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]methanone, (2-chloro-4,5-difluorophenyl)[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]methanone, 1-(2-chloro-4,5-difluorobenzoyl)-4-(4-methoxy-2-nitrophenyl)piperazine
| Molecular Formula | C18H16ClF2N3O4 |
|---|---|
| Molecular Weight | 411.08 g/mol |
| LogP | 3.4974 |
| Topological Polar Surface Area | 75.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.07974 |
| Heavy Atoms | 28 |
| Complexity | 933.287 |
Chemical Identifiers
| CAS Number | 312697-28-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3Cl)F)F)[N+](=O)[O-] |
Product Overview
BIM-0045018.P001 (CAS 312697-28-2), with molecular formula C18H16ClF2N3O4 and molecular weight 411.08 g/mol. IUPAC: (2-chloro-4,5-difluorophenyl)-[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]methanone.
Chemical Property Profile of BIM-0045018.P001
Property Insights of BIM-0045018.P001
The XLogP value of 3.4974 indicates that BIM-0045018.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.92 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0045018.P001. Following Lipinski's Rule of Five, BIM-0045018.P001 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 BIM-0045018.P001?
The CAS number of BIM-0045018.P001 is 312697-28-2.
What is the molecular formula of BIM-0045018.P001?
The molecular formula of BIM-0045018.P001 is C18H16ClF2N3O4.
What is the molecular weight of BIM-0045018.P001?
The molecular weight of BIM-0045018.P001 is 411.08 g/mol.
Where can I buy BIM-0045018.P001?
You can request a quote for BIM-0045018.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0045018.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0045018.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.