异赭曲酸
TL;DR: 异赭曲酸 (CAS 66964-78-1) is a chemical compound with molecular formula C10H8O5 and molecular weight 208.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异赭曲酸
2-(4-hydroxy-3-oxo-1H-2-benzofuran-1-yl)acetic acid
Also Known As: isoochracinic acid, iso-ochracinic acid, ISOOCHRACINIC-ACID, ISOOCHRACINIC ACID-, 2-(4-hydroxy-3-oxo-1H-2-benzofuran-1-yl)acetic acid
| Molecular Formula | C10H8O5 |
|---|---|
| Molecular Weight | 208.04 g/mol |
| LogP | 1.0784 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.03717 |
| Heavy Atoms | 15 |
| Complexity | 437.43893 |
Chemical Identifiers
| CAS Number | 66964-78-1 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)O)C(=O)OC2CC(=O)O |
Product Overview
异赭曲酸 (CAS 66964-78-1), with molecular formula C10H8O5 and molecular weight 208.04 g/mol. IUPAC: 2-(4-hydroxy-3-oxo-1H-2-benzofuran-1-yl)acetic acid.
Chemical Property Profile of 异赭曲酸
Property Insights of 异赭曲酸
The XLogP value of 1.0784 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异赭曲酸. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 异赭曲酸. Following Lipinski's Rule of Five, 异赭曲酸 has 2 hydrogen bond donor(s) and 4 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 异赭曲酸?
The CAS number of 异赭曲酸 is 66964-78-1.
What is the molecular formula of 异赭曲酸?
The molecular formula of 异赭曲酸 is C10H8O5.
What is the molecular weight of 异赭曲酸?
The molecular weight of 异赭曲酸 is 208.04 g/mol.
Where can I buy 异赭曲酸?
You can request a quote for 异赭曲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异赭曲酸?
Yes, KEHONG BIO provides custom synthesis services for 异赭曲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.