2-Nitrophenyl
TL;DR: 2-Nitrophenyl (CAS 137629-36-8) is a chemical compound with molecular formula C12H13NO9 and molecular weight 315.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trihydroxy-6-(2-nitrophenoxy)oxane-2-carboxylic acid
Also Known As: 2-Nitrophenyl, A-D-glucuronide potassium salt, 3,4,5-trihydroxy-6-(2-nitrophenoxy)oxane-2-carboxylic Acid, (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(2-nitrophenoxy)-tetrahydro-2H-pyran-2-carboxylic acid, 3,4,5-trihydroxy-6-(2-nitrophenoxy)tetrahydropyran-2-carboxylic acid
| Molecular Formula | C12H13NO9 |
|---|---|
| Molecular Weight | 315.06 g/mol |
| LogP | -1.1342 |
| Topological Polar Surface Area | 159.59 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.05902 |
| Heavy Atoms | 22 |
| Complexity | 577.4703 |
Chemical Identifiers
| CAS Number | 137629-36-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])OC2C(C(C(C(O2)C(=O)O)O)O)O |
Product Overview
2-Nitrophenyl (CAS 137629-36-8), with molecular formula C12H13NO9 and molecular weight 315.06 g/mol. IUPAC: 3,4,5-trihydroxy-6-(2-nitrophenoxy)oxane-2-carboxylic acid.
Chemical Property Profile of 2-Nitrophenyl
Property Insights of 2-Nitrophenyl
The XLogP value of -1.1342 indicates that 2-Nitrophenyl is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 159.59 Ų indicates high polarity, suggesting 2-Nitrophenyl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Nitrophenyl has 4 hydrogen bond donor(s) and 8 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 2-Nitrophenyl?
The CAS number of 2-Nitrophenyl is 137629-36-8.
What is the molecular formula of 2-Nitrophenyl?
The molecular formula of 2-Nitrophenyl is C12H13NO9.
What is the molecular weight of 2-Nitrophenyl?
The molecular weight of 2-Nitrophenyl is 315.06 g/mol.
Where can I buy 2-Nitrophenyl?
You can request a quote for 2-Nitrophenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrophenyl?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrophenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.