N-(3-nitrophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide
TL;DR: N-(3-nitrophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide (CAS 10019-03-1) is a chemical compound with molecular formula C17H13N2O7P and molecular weight 388.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(3-nitrophenyl)carbamoyl]naphthalen-2-yl] dihydrogen phosphate
Also Known As: NAPHTHOL AS-BS PHOSPHATE, Naphthol as-bs-phosphate, 1,2-Aceanthrylenedione, N-(3-Nitrophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide, [3-[(3-nitrophenyl)carbamoyl]naphthalen-2-yl] dihydrogen phosphate
| Molecular Formula | C17H13N2O7P |
|---|---|
| Molecular Weight | 388.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.04605 |
| Heavy Atoms | 27 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 10019-03-1 |
|---|---|
| SMILES | C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])OP(=O)(O)O |
| InChIKey | JELNBKZALJBEFQ-UHFFFAOYSA-N |
Product Overview
N-(3-nitrophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide (CAS 10019-03-1), with molecular formula C17H13N2O7P and molecular weight 388.05 g/mol. IUPAC: [3-[(3-nitrophenyl)carbamoyl]naphthalen-2-yl] dihydrogen phosphate.
Chemical Property Profile of N-(3-nitrophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide
Property Insights of N-(3-nitrophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-nitrophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide. The TPSA of 142.0 Ų indicates high polarity, suggesting N-(3-nitrophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(3-nitrophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide has 3 hydrogen bond donor(s) and 7 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 N-(3-nitrophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide?
The CAS number of N-(3-nitrophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide is 10019-03-1.
What is the molecular formula of N-(3-nitrophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide?
The molecular formula of N-(3-nitrophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide is C17H13N2O7P.
What is the molecular weight of N-(3-nitrophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide?
The molecular weight of N-(3-nitrophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide is 388.05 g/mol.
Where can I buy N-(3-nitrophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide?
You can request a quote for N-(3-nitrophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-nitrophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-nitrophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.