BIM-0046992.P001
TL;DR: BIM-0046992.P001 (CAS 309743-36-0) is a chemical compound with molecular formula C18H13ClF5N3O3 and molecular weight 449.06 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-2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
Also Known As: BIM-0046992.P001, A2293/0096617, (2-chloro-4,5-difluorophenyl)-[4-[4-nitro-2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone, (2-chloro-4,5-difluorophenyl){4-[4-nitro-2-(trifluoromethyl)phenyl]piperazin-1-yl}methanone, 1-(2-CHLORO-4,5-DIFLUOROBENZOYL)-4-[4-NITRO-2-(TRIFLUOROMETHYL)PHENYL]PIPERAZINE
| Molecular Formula | C18H13ClF5N3O3 |
|---|---|
| Molecular Weight | 449.06 g/mol |
| LogP | 4.5076 |
| Topological Polar Surface Area | 66.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 449.05655 |
| Heavy Atoms | 30 |
| Complexity | 1007.292 |
Chemical Identifiers
| CAS Number | 309743-36-0 |
|---|---|
| SMILES | C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)C(=O)C3=CC(=C(C=C3Cl)F)F |
Product Overview
BIM-0046992.P001 (CAS 309743-36-0), with molecular formula C18H13ClF5N3O3 and molecular weight 449.06 g/mol. IUPAC: (2-chloro-4,5-difluorophenyl)-[4-[4-nitro-2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
Chemical Property Profile of BIM-0046992.P001
Property Insights of BIM-0046992.P001
The XLogP value of 4.5076 indicates that BIM-0046992.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.69 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0046992.P001. Following Lipinski's Rule of Five, BIM-0046992.P001 has 0 hydrogen bond donor(s) and 4 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-0046992.P001?
The CAS number of BIM-0046992.P001 is 309743-36-0.
What is the molecular formula of BIM-0046992.P001?
The molecular formula of BIM-0046992.P001 is C18H13ClF5N3O3.
What is the molecular weight of BIM-0046992.P001?
The molecular weight of BIM-0046992.P001 is 449.06 g/mol.
Where can I buy BIM-0046992.P001?
You can request a quote for BIM-0046992.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0046992.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0046992.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.