3-Nitrophenyl dihydrogen phosphate
TL;DR: 3-Nitrophenyl dihydrogen phosphate (CAS 13388-91-5) is a chemical compound with molecular formula C6H6NO6P and molecular weight 218.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-nitrophenyl) dihydrogen phosphate
Also Known As: 3-nitrophenyl phosphate, 3-nitrophenylphosphate, (3-nitrophenyl) phosphate, 3-nitrophenyl dihydrogen phosphate, (3-nitrophenoxy)phosphonic Acid
| Molecular Formula | C6H6NO6P |
|---|---|
| Molecular Weight | 218.99 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.99327 |
| Heavy Atoms | 14 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 13388-91-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OP(=O)(O)O)[N+](=O)[O-] |
| InChIKey | XBUUVLVJXNRBPN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Nitrophenyl dihydrogen phosphate (CAS 13388-91-5), with molecular formula C6H6NO6P and molecular weight 218.99 g/mol. IUPAC: (3-nitrophenyl) dihydrogen phosphate.
Chemical Property Profile of 3-Nitrophenyl dihydrogen phosphate
Property Insights of 3-Nitrophenyl dihydrogen phosphate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitrophenyl dihydrogen phosphate. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrophenyl dihydrogen phosphate. Following Lipinski's Rule of Five, 3-Nitrophenyl dihydrogen phosphate has 2 hydrogen bond donor(s) and 6 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 3-Nitrophenyl dihydrogen phosphate?
The CAS number of 3-Nitrophenyl dihydrogen phosphate is 13388-91-5.
What is the molecular formula of 3-Nitrophenyl dihydrogen phosphate?
The molecular formula of 3-Nitrophenyl dihydrogen phosphate is C6H6NO6P.
What is the molecular weight of 3-Nitrophenyl dihydrogen phosphate?
The molecular weight of 3-Nitrophenyl dihydrogen phosphate is 218.99 g/mol.
Where can I buy 3-Nitrophenyl dihydrogen phosphate?
You can request a quote for 3-Nitrophenyl dihydrogen phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitrophenyl dihydrogen phosphate?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrophenyl dihydrogen phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.