AB00096002-01
TL;DR: AB00096002-01 (CAS 313376-61-3) is a chemical compound with molecular formula C21H22F3N5O5 and molecular weight 481.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-nitro-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]phenyl]morpholine
Also Known As: AB00096002-01, 4-(2-nitro-5-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}phenyl)morpholine, 4-[2-nitro-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]phenyl]morpholine, 1-(3-morpholin-4-yl-4-nitro-phenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine, 4-(2-nitro-5-(4-(2-nitro-4-(trifluoromethyl)phenyl)piperazin-1-yl)phenyl)morpholine
| Molecular Formula | C21H22F3N5O5 |
|---|---|
| Molecular Weight | 481.16 g/mol |
| LogP | 3.685 |
| Topological Polar Surface Area | 105.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 481.15732 |
| Heavy Atoms | 34 |
| Complexity | 1082.9542 |
Chemical Identifiers
| CAS Number | 313376-61-3 |
|---|---|
| SMILES | C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-] |
Product Overview
AB00096002-01 (CAS 313376-61-3), with molecular formula C21H22F3N5O5 and molecular weight 481.16 g/mol. IUPAC: 4-[2-nitro-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]phenyl]morpholine.
Chemical Property Profile of AB00096002-01
Property Insights of AB00096002-01
The XLogP value of 3.685 indicates that AB00096002-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.23 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00096002-01. Following Lipinski's Rule of Five, AB00096002-01 has 0 hydrogen bond donor(s) and 8 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 AB00096002-01?
The CAS number of AB00096002-01 is 313376-61-3.
What is the molecular formula of AB00096002-01?
The molecular formula of AB00096002-01 is C21H22F3N5O5.
What is the molecular weight of AB00096002-01?
The molecular weight of AB00096002-01 is 481.16 g/mol.
Where can I buy AB00096002-01?
You can request a quote for AB00096002-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00096002-01?
Yes, KEHONG BIO provides custom synthesis services for AB00096002-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.