4-(N-(Acetoxyethyl)-N-methylamino)-7-nitro-2,1,3-benzoxadiazole ubiquinone
TL;DR: 4-(N-(Acetoxyethyl)-N-methylamino)-7-nitro-2,1,3-benzoxadiazole ubiquinone (CAS 119110-36-0) is a chemical compound with molecular formula C70H102N4O9 and molecular weight 1142.76 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethyl 2-[5-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-4-hydroxy-2,3-dimethoxy-6-methylphenoxy]acetate
Also Known As: NBDUQ, 4-(N-(Acetoxyethyl)-N-methylamino)-7-nitro-2,1,3-benzoxadiazole ubiquinone, 2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethyl 2-[5-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-4-hydroxy-2,3-dimethoxy-6-methylphenoxy]acetate, 5,8,11,14,17,20,23,26,29-Nonaoxa-2-azadotriacontanedioic acid, 1-(9H-fluoren-9-ylmethyl) ester, Acetic acid, (3-(3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaenyl)-4-hydroxy-5,6-dimethoxy-2-methylphenoxy)-, 2-(methyl(7-nitro-4-benzofurazanyl)amino)ethyl ester, (all-E)-
| Molecular Formula | C70H102N4O9 |
|---|---|
| Molecular Weight | 1142.76 g/mol |
| LogP | 19.26782 |
| Topological Polar Surface Area | 159.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 39 |
| Exact Mass | 1142.7646 |
| Heavy Atoms | 83 |
| Complexity | 2880.2312 |
Chemical Identifiers
| CAS Number | 119110-36-0 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1OCC(=O)OCCN(C)C2=CC=C(C3=NON=C23)[N+](=O)[O-])OC)OC)O)C/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CCC=C(C)C |
Product Overview
4-(N-(Acetoxyethyl)-N-methylamino)-7-nitro-2,1,3-benzoxadiazole ubiquinone (CAS 119110-36-0), with molecular formula C70H102N4O9 and molecular weight 1142.76 g/mol. IUPAC: 2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethyl 2-[5-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-4-hydroxy-2,3-dimethoxy-6-methylphenoxy]acetate.
Chemical Property Profile of 4-(N-(Acetoxyethyl)-N-methylamino)-7-nitro-2,1,3-benzoxadiazole ubiquinone
Property Insights of 4-(N-(Acetoxyethyl)-N-methylamino)-7-nitro-2,1,3-benzoxadiazole ubiquinone
The XLogP value of 19.26782 indicates that 4-(N-(Acetoxyethyl)-N-methylamino)-7-nitro-2,1,3-benzoxadiazole ubiquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.52 Ų indicates high polarity, suggesting 4-(N-(Acetoxyethyl)-N-methylamino)-7-nitro-2,1,3-benzoxadiazole ubiquinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(N-(Acetoxyethyl)-N-methylamino)-7-nitro-2,1,3-benzoxadiazole ubiquinone has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(N-(Acetoxyethyl)-N-methylamino)-7-nitro-2,1,3-benzoxadiazole ubiquinone?
The CAS number of 4-(N-(Acetoxyethyl)-N-methylamino)-7-nitro-2,1,3-benzoxadiazole ubiquinone is 119110-36-0.
What is the molecular formula of 4-(N-(Acetoxyethyl)-N-methylamino)-7-nitro-2,1,3-benzoxadiazole ubiquinone?
The molecular formula of 4-(N-(Acetoxyethyl)-N-methylamino)-7-nitro-2,1,3-benzoxadiazole ubiquinone is C70H102N4O9.
What is the molecular weight of 4-(N-(Acetoxyethyl)-N-methylamino)-7-nitro-2,1,3-benzoxadiazole ubiquinone?
The molecular weight of 4-(N-(Acetoxyethyl)-N-methylamino)-7-nitro-2,1,3-benzoxadiazole ubiquinone is 1142.76 g/mol.
Where can I buy 4-(N-(Acetoxyethyl)-N-methylamino)-7-nitro-2,1,3-benzoxadiazole ubiquinone?
You can request a quote for 4-(N-(Acetoxyethyl)-N-methylamino)-7-nitro-2,1,3-benzoxadiazole ubiquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(N-(Acetoxyethyl)-N-methylamino)-7-nitro-2,1,3-benzoxadiazole ubiquinone?
Yes, KEHONG BIO provides custom synthesis services for 4-(N-(Acetoxyethyl)-N-methylamino)-7-nitro-2,1,3-benzoxadiazole ubiquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.