磷酸茄尼醇
TL;DR: 磷酸茄尼醇 (CAS 98229-45-9) is a chemical compound with molecular formula C44H80N2O9P2 and molecular weight 842.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
磷酸茄尼醇
[(1E,5E,9E,13E,17E,21E,25E,29E)-1-azaniumyl-1-hydroxy-2,6,10,14,18,22,26,30,34-nonamethylpentatriaconta-1,5,9,13,17,21,25,29,33-nonaen-3-yl]azanium;bis(dihydrogen phosphate)
Also Known As: Solanesyl phosphate, [(1E,5E,9E,13E,17E,21E,25E,29E)-1-azaniumyl-1-hydroxy-2,6,10,14,18,22,26,30,34-nonamethylpentatriaconta-1,5,9,13,17,21,25,29,33-nonaen-3-yl]azanium;dihydrogen phosphate, [(1E,5E,9E,13E,17E,21E,25E,29E)-1-azaniumyl-1-hydroxy-2,6,10,14,18,22,26,30,34-nonamethylpentatriaconta-1,5,9,13,17,21,25,29,33-nonaen-3-yl]azanium; dihydrogen phosphate, 1,5,9,13,17,21,25,29,33-Pentatriacontanonaen-1-ol, 2,6,10,14,18,22,26,30,34-nonamethyl-, dihydrogen phosphate, diammonium salt, RefChem:184202
| Molecular Formula | C44H80N2O9P2 |
|---|---|
| Molecular Weight | 842.53 g/mol |
| LogP | 8.9489 |
| Topological Polar Surface Area | 236.69 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 24 |
| Exact Mass | 842.53394 |
| Heavy Atoms | 57 |
| Complexity | 1476.5615 |
Chemical Identifiers
| CAS Number | 98229-45-9 |
|---|---|
| SMILES | CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC(/C(=C(\[NH3+])/O)/C)[NH3+])/C)/C)/C)/C)/C)/C)/C)C.OP(=O)(O)[O-].OP(=O)(O)[O-] |
Product Overview
磷酸茄尼醇 (CAS 98229-45-9), with molecular formula C44H80N2O9P2 and molecular weight 842.53 g/mol. IUPAC: [(1E,5E,9E,13E,17E,21E,25E,29E)-1-azaniumyl-1-hydroxy-2,6,10,14,18,22,26,30,34-nonamethylpentatriaconta-1,5,9,13,17,21,25,29,33-nonaen-3-yl]azanium;bis(dihydrogen phosphate).
Chemical Property Profile of 磷酸茄尼醇
Property Insights of 磷酸茄尼醇
The XLogP value of 8.9489 indicates that 磷酸茄尼醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 236.69 Ų indicates high polarity, suggesting 磷酸茄尼醇 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 磷酸茄尼醇 has 7 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 磷酸茄尼醇?
The CAS number of 磷酸茄尼醇 is 98229-45-9.
What is the molecular formula of 磷酸茄尼醇?
The molecular formula of 磷酸茄尼醇 is C44H80N2O9P2.
What is the molecular weight of 磷酸茄尼醇?
The molecular weight of 磷酸茄尼醇 is 842.53 g/mol.
Where can I buy 磷酸茄尼醇?
You can request a quote for 磷酸茄尼醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 磷酸茄尼醇?
Yes, KEHONG BIO provides custom synthesis services for 磷酸茄尼醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.