Hydrastininic acid
TL;DR: Hydrastininic acid (CAS 490-25-5) is a chemical compound with molecular formula C11H9NO6 and molecular weight 251.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-(methylcarbamoyl)-1,3-benzodioxol-5-yl]-2-oxoacetic acid
Also Known As: Hydrastininic acid, [6-(Methylcarbamoyl)-2H-1,3-benzodioxol-5-yl](oxo)acetic acid, 2-[6-(methylcarbamoyl)-1,3-benzodioxol-5-yl]-2-oxoacetic acid, 6-[(Methylamino)carbonyl]-I+/--oxo-1,3-benzodioxole-5-acetic acid, (6-[(Methylamino)carbonyl]-1,3-benzodioxol-5-yl)(oxo)acetic acid #
| Molecular Formula | C11H9NO6 |
|---|---|
| Molecular Weight | 251.04 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.04298 |
| Heavy Atoms | 18 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 490-25-5 |
|---|---|
| SMILES | CNC(=O)C1=CC2=C(C=C1C(=O)C(=O)O)OCO2 |
| InChIKey | TZESRXCGLOHGTI-UHFFFAOYSA-N |
Product Overview
Hydrastininic acid (CAS 490-25-5), with molecular formula C11H9NO6 and molecular weight 251.04 g/mol. IUPAC: 2-[6-(methylcarbamoyl)-1,3-benzodioxol-5-yl]-2-oxoacetic acid.
Chemical Property Profile of Hydrastininic acid
Property Insights of Hydrastininic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydrastininic acid. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hydrastininic acid. Following Lipinski's Rule of Five, Hydrastininic acid 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 Hydrastininic acid?
The CAS number of Hydrastininic acid is 490-25-5.
What is the molecular formula of Hydrastininic acid?
The molecular formula of Hydrastininic acid is C11H9NO6.
What is the molecular weight of Hydrastininic acid?
The molecular weight of Hydrastininic acid is 251.04 g/mol.
Where can I buy Hydrastininic acid?
You can request a quote for Hydrastininic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydrastininic acid?
Yes, KEHONG BIO provides custom synthesis services for Hydrastininic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.