PHTHALALDEHYDIC ACID
TL;DR: PHTHALALDEHYDIC ACID (CAS 16859-59-9) is a chemical compound with molecular formula C8H6O3 and molecular weight 150.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R)-3-hydroxy-3H-2-benzofuran-1-one
Also Known As: PHTHALALDEHYDIC ACID, 1(3H)-isobenzofuranone, 3-hydroxy-, (3R)-3-hydroxy-3H-2-benzofuran-1-one, (3R)-3-Hydroxy-2-benzofuran-1(3H)-one, RefChem:313883
| Molecular Formula | C8H6O3 |
|---|---|
| Molecular Weight | 150.03 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 150.0317 |
| Heavy Atoms | 11 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 16859-59-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)[C@@H](OC2=O)O |
| InChIKey | JKNKNWJNCOJPLI-SSDOTTSWSA-N |
Product Overview
PHTHALALDEHYDIC ACID (CAS 16859-59-9), with molecular formula C8H6O3 and molecular weight 150.03 g/mol. IUPAC: (3R)-3-hydroxy-3H-2-benzofuran-1-one.
Chemical Property Profile of PHTHALALDEHYDIC ACID
Property Insights of PHTHALALDEHYDIC ACID
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PHTHALALDEHYDIC ACID. With a topological polar surface area (TPSA) of 46.5 Ų, PHTHALALDEHYDIC ACID exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, PHTHALALDEHYDIC ACID has 1 hydrogen bond donor(s) and 3 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 PHTHALALDEHYDIC ACID?
The CAS number of PHTHALALDEHYDIC ACID is 16859-59-9.
What is the molecular formula of PHTHALALDEHYDIC ACID?
The molecular formula of PHTHALALDEHYDIC ACID is C8H6O3.
What is the molecular weight of PHTHALALDEHYDIC ACID?
The molecular weight of PHTHALALDEHYDIC ACID is 150.03 g/mol.
Where can I buy PHTHALALDEHYDIC ACID?
You can request a quote for PHTHALALDEHYDIC ACID directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PHTHALALDEHYDIC ACID?
Yes, KEHONG BIO provides custom synthesis services for PHTHALALDEHYDIC ACID and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.