4-(4-Hydroxy-3,3-diphenylhexyl)morpholin-4-ium nitrate
TL;DR: 4-(4-Hydroxy-3,3-diphenylhexyl)morpholin-4-ium nitrate (CAS 67227-12-7) is a chemical compound with molecular formula C22H30N2O5 and molecular weight 402.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-morpholin-4-ium-4-yl-4,4-diphenylhexan-3-ol nitrate
Also Known As: 4,4-Diphenyl-6-morpholino-3-hexanol nitrate, 3-HEXANOL, 4,4-DIPHENYL-6-MORPHOLINO-, NITRATE, 4-(4-Hydroxy-3,3-diphenylhexyl)morpholin-4-ium nitrate, 6-morpholin-4-ium-4-yl-4,4-diphenylhexan-3-ol nitrate, 4-Morpholinebutanol, .alpha.-ethyl-.beta.,.beta.-diphenyl-, nitrate (salt)
| Molecular Formula | C22H30N2O5 |
|---|---|
| Molecular Weight | 402.22 g/mol |
| LogP | 1.81 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 402.21548 |
| Heavy Atoms | 29 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 67227-12-7 |
|---|---|
| SMILES | CCC(C(CC[NH+]1CCOCC1)(C2=CC=CC=C2)C3=CC=CC=C3)O.[N+](=O)([O-])[O-] |
| InChIKey | ZNJRPNIEEDKLLT-UHFFFAOYSA-O |
Product Overview
4-(4-Hydroxy-3,3-diphenylhexyl)morpholin-4-ium nitrate (CAS 67227-12-7), with molecular formula C22H30N2O5 and molecular weight 402.22 g/mol. IUPAC: 6-morpholin-4-ium-4-yl-4,4-diphenylhexan-3-ol nitrate.
Chemical Property Profile of 4-(4-Hydroxy-3,3-diphenylhexyl)morpholin-4-ium nitrate
Property Insights of 4-(4-Hydroxy-3,3-diphenylhexyl)morpholin-4-ium nitrate
The XLogP value of 1.81 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Hydroxy-3,3-diphenylhexyl)morpholin-4-ium nitrate. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Hydroxy-3,3-diphenylhexyl)morpholin-4-ium nitrate. Following Lipinski's Rule of Five, 4-(4-Hydroxy-3,3-diphenylhexyl)morpholin-4-ium nitrate has 2 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 4-(4-Hydroxy-3,3-diphenylhexyl)morpholin-4-ium nitrate?
The CAS number of 4-(4-Hydroxy-3,3-diphenylhexyl)morpholin-4-ium nitrate is 67227-12-7.
What is the molecular formula of 4-(4-Hydroxy-3,3-diphenylhexyl)morpholin-4-ium nitrate?
The molecular formula of 4-(4-Hydroxy-3,3-diphenylhexyl)morpholin-4-ium nitrate is C22H30N2O5.
What is the molecular weight of 4-(4-Hydroxy-3,3-diphenylhexyl)morpholin-4-ium nitrate?
The molecular weight of 4-(4-Hydroxy-3,3-diphenylhexyl)morpholin-4-ium nitrate is 402.22 g/mol.
Where can I buy 4-(4-Hydroxy-3,3-diphenylhexyl)morpholin-4-ium nitrate?
You can request a quote for 4-(4-Hydroxy-3,3-diphenylhexyl)morpholin-4-ium nitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Hydroxy-3,3-diphenylhexyl)morpholin-4-ium nitrate?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Hydroxy-3,3-diphenylhexyl)morpholin-4-ium nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.