RefChem:117481
TL;DR: RefChem:117481 (CAS 68391-59-3) is a chemical compound with molecular formula C13H17ClF6N3P and molecular weight 395.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-[cyclohexyl(methyl)amino]benzenediazonium hexafluorophosphate
Also Known As: Benzenediazonium, 3-chloro-4-(cyclohexylmethylamino)-, hexafluorophosphate(1-), 3-Chloro-4-(cyclohexylmethylamino)benzenediazonium hexafluorophosphate, 3-chloro-4-[cyclohexyl(methyl)amino]benzenediazonium hexafluorophosphate, 3-Chloro-4-N-methylcyclohexylaminobenzenediazonium hexafluorophosphate, Benzenediazonium, 3-chloro-4-(cyclohexylmethylamino)-, hexafluorophosphate(1-) (1:1)
| Molecular Formula | C13H17ClF6N3P |
|---|---|
| Molecular Weight | 395.08 g/mol |
| LogP | 7.98 |
| Topological Polar Surface Area | 31.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 395.0753 |
| Heavy Atoms | 24 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 68391-59-3 |
|---|---|
| SMILES | CN(C1CCCCC1)C2=C(C=C(C=C2)[N+]#N)Cl.F[P-](F)(F)(F)(F)F |
| InChIKey | JUBLIVJCKKFJCN-UHFFFAOYSA-N |
Product Overview
RefChem:117481 (CAS 68391-59-3), with molecular formula C13H17ClF6N3P and molecular weight 395.08 g/mol. IUPAC: 3-chloro-4-[cyclohexyl(methyl)amino]benzenediazonium hexafluorophosphate.
Chemical Property Profile of RefChem:117481
Property Insights of RefChem:117481
The XLogP value of 7.98 indicates that RefChem:117481 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.4 Ų, RefChem:117481 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:117481 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:117481?
The CAS number of RefChem:117481 is 68391-59-3.
What is the molecular formula of RefChem:117481?
The molecular formula of RefChem:117481 is C13H17ClF6N3P.
What is the molecular weight of RefChem:117481?
The molecular weight of RefChem:117481 is 395.08 g/mol.
Where can I buy RefChem:117481?
You can request a quote for RefChem:117481 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117481?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117481 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.