Naphthol AS-BI beta-D-glucuronide
TL;DR: Naphthol AS-BI beta-D-glucuronide (CAS 37-87-6) is a chemical compound with molecular formula C24H22BrNO9 and molecular weight 547.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[6-bromo-3-[(2-methoxyphenyl)carbamoyl]naphthalen-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Naphthol AS-BI beta-D-glucuronide, 2-naphthol AS BI-beta-D-glucuronide, NAPHTHOL AS-BI B-D-GLUCURONIDE, 6-[6-bromo-3-[(2-methoxyphenyl)carbamoyl]naphthalen-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid, 6-Bromo-3-[(2-methoxyphenyl)carbamoyl]naphthalen-2-yl hexopyranosiduronic acid
| Molecular Formula | C24H22BrNO9 |
|---|---|
| Molecular Weight | 547.05 g/mol |
| LogP | 2.1342 |
| Topological Polar Surface Area | 154.78 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 547.0478 |
| Heavy Atoms | 35 |
| Complexity | 1266.9734 |
Chemical Identifiers
| CAS Number | 37-87-6 |
|---|---|
| SMILES | COC1=CC=CC=C1NC(=O)C2=C(C=C3C=CC(=CC3=C2)Br)OC4C(C(C(C(O4)C(=O)O)O)O)O |
Product Overview
Naphthol AS-BI beta-D-glucuronide (CAS 37-87-6), with molecular formula C24H22BrNO9 and molecular weight 547.05 g/mol. IUPAC: 6-[6-bromo-3-[(2-methoxyphenyl)carbamoyl]naphthalen-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Naphthol AS-BI beta-D-glucuronide
Property Insights of Naphthol AS-BI beta-D-glucuronide
The XLogP value of 2.1342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Naphthol AS-BI beta-D-glucuronide. The TPSA of 154.78 Ų indicates high polarity, suggesting Naphthol AS-BI beta-D-glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Naphthol AS-BI beta-D-glucuronide has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Naphthol AS-BI beta-D-glucuronide?
The CAS number of Naphthol AS-BI beta-D-glucuronide is 37-87-6.
What is the molecular formula of Naphthol AS-BI beta-D-glucuronide?
The molecular formula of Naphthol AS-BI beta-D-glucuronide is C24H22BrNO9.
What is the molecular weight of Naphthol AS-BI beta-D-glucuronide?
The molecular weight of Naphthol AS-BI beta-D-glucuronide is 547.05 g/mol.
Where can I buy Naphthol AS-BI beta-D-glucuronide?
You can request a quote for Naphthol AS-BI beta-D-glucuronide 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 beta-D-glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Naphthol AS-BI beta-D-glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.