2-Nitrophenyl 2,3,4-Tri-O-acetyl-beta-D-glucuronide, Methyl Ester
TL;DR: 2-Nitrophenyl 2,3,4-Tri-O-acetyl-beta-D-glucuronide, Methyl Ester (CAS 18472-49-6) is a chemical compound with molecular formula C19H21NO12 and molecular weight 455.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,4,5-triacetyloxy-6-(2-nitrophenoxy)oxane-2-carboxylate
Also Known As: 2-Nitrophenyl 2,3,4-Tri-O-acetyl-beta-D-glucuronide, Methyl Ester, Methyl 3,4,5-triacetyloxy-6-(2-nitrophenoxy)oxane-2-carboxylate, 2-Nitrophenyl 2,3,4-tri-O-acetyl-b-D-glucuronide methyl ester, 4-Nitrophenyl 2,3,4-tri-O-acetyl-b-D-glucuronide methyl ester, 2-Nitrophenyl 2,3,4-Tri-O-acetyl- -D-glucuronide, Methyl Ester
| Molecular Formula | C19H21NO12 |
|---|---|
| Molecular Weight | 455.11 g/mol |
| LogP | 0.6666 |
| Topological Polar Surface Area | 166.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 455.10638 |
| Heavy Atoms | 32 |
| Complexity | 900.04926 |
Chemical Identifiers
| CAS Number | 18472-49-6 |
|---|---|
| SMILES | CC(=O)OC1C(C(OC(C1OC(=O)C)OC2=CC=CC=C2[N+](=O)[O-])C(=O)OC)OC(=O)C |
Product Overview
2-Nitrophenyl 2,3,4-Tri-O-acetyl-beta-D-glucuronide, Methyl Ester (CAS 18472-49-6), with molecular formula C19H21NO12 and molecular weight 455.11 g/mol. IUPAC: methyl 3,4,5-triacetyloxy-6-(2-nitrophenoxy)oxane-2-carboxylate.
Chemical Property Profile of 2-Nitrophenyl 2,3,4-Tri-O-acetyl-beta-D-glucuronide, Methyl Ester
Property Insights of 2-Nitrophenyl 2,3,4-Tri-O-acetyl-beta-D-glucuronide, Methyl Ester
The XLogP value of 0.6666 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitrophenyl 2,3,4-Tri-O-acetyl-beta-D-glucuronide, Methyl Ester. The TPSA of 166.8 Ų indicates high polarity, suggesting 2-Nitrophenyl 2,3,4-Tri-O-acetyl-beta-D-glucuronide, Methyl Ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Nitrophenyl 2,3,4-Tri-O-acetyl-beta-D-glucuronide, Methyl Ester has 0 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 2-Nitrophenyl 2,3,4-Tri-O-acetyl-beta-D-glucuronide, Methyl Ester?
The CAS number of 2-Nitrophenyl 2,3,4-Tri-O-acetyl-beta-D-glucuronide, Methyl Ester is 18472-49-6.
What is the molecular formula of 2-Nitrophenyl 2,3,4-Tri-O-acetyl-beta-D-glucuronide, Methyl Ester?
The molecular formula of 2-Nitrophenyl 2,3,4-Tri-O-acetyl-beta-D-glucuronide, Methyl Ester is C19H21NO12.
What is the molecular weight of 2-Nitrophenyl 2,3,4-Tri-O-acetyl-beta-D-glucuronide, Methyl Ester?
The molecular weight of 2-Nitrophenyl 2,3,4-Tri-O-acetyl-beta-D-glucuronide, Methyl Ester is 455.11 g/mol.
Where can I buy 2-Nitrophenyl 2,3,4-Tri-O-acetyl-beta-D-glucuronide, Methyl Ester?
You can request a quote for 2-Nitrophenyl 2,3,4-Tri-O-acetyl-beta-D-glucuronide, Methyl Ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrophenyl 2,3,4-Tri-O-acetyl-beta-D-glucuronide, Methyl Ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrophenyl 2,3,4-Tri-O-acetyl-beta-D-glucuronide, Methyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.