Naphthol AS-BI phosphate disodium salt
TL;DR: Naphthol AS-BI phosphate disodium salt (CAS 3868-34-6) is a chemical compound with molecular formula C18H13BrNNa2O6P and molecular weight 494.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;[6-bromo-3-[(2-methoxyphenyl)carbamoyl]naphthalen-2-yl] phosphate
Also Known As: Naphthol AS-BI phosphate disodium salt, Naphthol AS-BI phosphate, 2-Naphthalenecarboxamide, Naphthol as-bi phosphate sodium salt, 2-Norpinene,3,6,6-trimethyl
| Molecular Formula | C18H13BrNNa2O6P |
|---|---|
| Molecular Weight | 494.95 g/mol |
| LogP | -2.9213 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 494.94592 |
| Heavy Atoms | 29 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 3868-34-6 |
|---|---|
| SMILES | COC1=CC=CC=C1NC(=O)C2=C(C=C3C=CC(=CC3=C2)Br)OP(=O)([O-])[O-].[Na+].[Na+] |
| InChIKey | HESHHBAVKCAKQF-UHFFFAOYSA-L |
Product Overview
Naphthol AS-BI phosphate disodium salt (CAS 3868-34-6), with molecular formula C18H13BrNNa2O6P and molecular weight 494.95 g/mol. IUPAC: disodium;[6-bromo-3-[(2-methoxyphenyl)carbamoyl]naphthalen-2-yl] phosphate.
Chemical Property Profile of Naphthol AS-BI phosphate disodium salt
Property Insights of Naphthol AS-BI phosphate disodium salt
The XLogP value of -2.9213 indicates that Naphthol AS-BI phosphate disodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Naphthol AS-BI phosphate disodium salt. Following Lipinski's Rule of Five, Naphthol AS-BI phosphate disodium salt has 1 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 Naphthol AS-BI phosphate disodium salt?
The CAS number of Naphthol AS-BI phosphate disodium salt is 3868-34-6.
What is the molecular formula of Naphthol AS-BI phosphate disodium salt?
The molecular formula of Naphthol AS-BI phosphate disodium salt is C18H13BrNNa2O6P.
What is the molecular weight of Naphthol AS-BI phosphate disodium salt?
The molecular weight of Naphthol AS-BI phosphate disodium salt is 494.95 g/mol.
Where can I buy Naphthol AS-BI phosphate disodium salt?
You can request a quote for Naphthol AS-BI phosphate disodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naphthol AS-BI phosphate disodium salt?
Yes, KEHONG BIO provides custom synthesis services for Naphthol AS-BI phosphate disodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.