RefChem:117401
TL;DR: RefChem:117401 (CAS 68400-46-4) is a chemical compound with molecular formula C16H24BF4N3O3 and molecular weight 393.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-morpholin-4-yl-2,5-di(propan-2-yloxy)benzenediazonium tetrafluoroborate
Also Known As: 4-Morpholino-2,5-diisopropoxybenzenediazonium tetrafluoroborate, N-(4-Diazo-2,5-diisopropoxyphenyl)morpholine fluoborate, 2,5-bis -4- benzenediazoniumtetrafluoroborate, 2,5-Bis(1-methylethoxy)-4-(morpholino)benzenediazonium tetrafluoroborate, Benzenediazonium, 2,5-bis(1-methylethoxy)-4-(4-morpholinyl)-, tetrafluoroborate(1-)
| Molecular Formula | C16H24BF4N3O3 |
|---|---|
| Molecular Weight | 393.18 g/mol |
| LogP | 4.88 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.1847 |
| Heavy Atoms | 27 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 68400-46-4 |
|---|---|
| SMILES | [B-](F)(F)(F)F.CC(C)OC1=CC(=C(C=C1[N+]#N)OC(C)C)N2CCOCC2 |
| InChIKey | KSJKLYOQRFXVSX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:117401 (CAS 68400-46-4), with molecular formula C16H24BF4N3O3 and molecular weight 393.18 g/mol. IUPAC: 4-morpholin-4-yl-2,5-di(propan-2-yloxy)benzenediazonium tetrafluoroborate.
Chemical Property Profile of RefChem:117401
Property Insights of RefChem:117401
The XLogP value of 4.88 indicates that RefChem:117401 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.1 Ų, RefChem:117401 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:117401 has 0 hydrogen bond donor(s) and 10 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 RefChem:117401?
The CAS number of RefChem:117401 is 68400-46-4.
What is the molecular formula of RefChem:117401?
The molecular formula of RefChem:117401 is C16H24BF4N3O3.
What is the molecular weight of RefChem:117401?
The molecular weight of RefChem:117401 is 393.18 g/mol.
Where can I buy RefChem:117401?
You can request a quote for RefChem:117401 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117401?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117401 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.