Hexaprenylhydroquinone sulfate
TL;DR: Hexaprenylhydroquinone sulfate (CAS 127683-04-9) is a chemical compound with molecular formula C69H97N15O18 and molecular weight 1423.71 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-amino-2-[2-(4-aminobutylamino)-2-oxoethyl]-9,11-dimethyl-8-oxo-4-N,6-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-[1,3]oxazolo[4,5-b]phenoxazine-4,6-dicarboxamide
Also Known As: Hexaprenylhydroquinone sulfate, 7-amino-2-[2-(4-aminobutylamino)-2-oxoethyl]-9,11-dimethyl-8-oxo-4-N,6-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-[1,3]oxazolo[4,5-b]phenoxazine-4,6-dicarboxamide, 7-amino-2-{2-[(4-aminobutyl)amino]-2-oxoethyl}-9,11-dimethyl-8-oxo-n,n'-bis[2,5,9-trimethyl-1,4,7,11,14-pentaoxo-6,13-di(propan-2-yl)hexadecahydro-1h-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-8h-[1,3]oxazolo[4,5-b]phenoxazine-4,6-dicarboxamide, L-Valine, 1,1'-((7-amino-2-(2-((4-aminobutyl)amino)-2-oxoethyl)-9,11-dimethyl-8-oxo-8H-oxazolo(4,5-b)phenoxazine-4,6-diyl)dicarbonyl)bis(L-threonyl-D-valyl-L-prolyl-N-methylglycyl-N-methyl-, di-xi-lactone, N,N'-(7-Amino-2-(2-(4-aminobutyl)amino-2-oxoethyl)-9,11-dimethyl-8-oxo-8H-oxazolo(4,5-b)phenoxazine-4,6-diyl)dicarbonylbis(L-threonyl-D-valyl-L-propyl-N-methylglycyl-N-methyl-L-valine) di-xi-lactone
| Molecular Formula | C69H97N15O18 |
|---|---|
| Molecular Weight | 1423.71 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 437.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 14 |
| Exact Mass | 1423.7136 |
| Heavy Atoms | 102 |
| Complexity | 3430.0 |
Chemical Identifiers
| CAS Number | 127683-04-9 |
|---|---|
| SMILES | CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C(C(=O)C(=C4C3=NC5=C(O4)C(=C6C(=C5C(=O)NC7C(OC(=O)C(N(C(=O)CN(C(=O)C8CCCN8C(=O)C(NC7=O)C(C)C)C)C)C(C)C)C)N=C(O6)CC(=O)NCCCCN)C)C)N |
| InChIKey | PNJPLFMPOFXFEW-UHFFFAOYSA-N |
Product Overview
Hexaprenylhydroquinone sulfate (CAS 127683-04-9), with molecular formula C69H97N15O18 and molecular weight 1423.71 g/mol. IUPAC: 7-amino-2-[2-(4-aminobutylamino)-2-oxoethyl]-9,11-dimethyl-8-oxo-4-N,6-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-[1,3]oxazolo[4,5-b]phenoxazine-4,6-dicarboxamide.
Chemical Property Profile of Hexaprenylhydroquinone sulfate
Property Insights of Hexaprenylhydroquinone sulfate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexaprenylhydroquinone sulfate. The TPSA of 437.0 Ų indicates high polarity, suggesting Hexaprenylhydroquinone sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hexaprenylhydroquinone sulfate has 7 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexaprenylhydroquinone sulfate?
The CAS number of Hexaprenylhydroquinone sulfate is 127683-04-9.
What is the molecular formula of Hexaprenylhydroquinone sulfate?
The molecular formula of Hexaprenylhydroquinone sulfate is C69H97N15O18.
What is the molecular weight of Hexaprenylhydroquinone sulfate?
The molecular weight of Hexaprenylhydroquinone sulfate is 1423.71 g/mol.
Where can I buy Hexaprenylhydroquinone sulfate?
You can request a quote for Hexaprenylhydroquinone sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexaprenylhydroquinone sulfate?
Yes, KEHONG BIO provides custom synthesis services for Hexaprenylhydroquinone sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.