内氧桥-Δ4-四氢邻苯二甲酸
TL;DR: 内氧桥-Δ4-四氢邻苯二甲酸 (CAS 51112-81-3) is a chemical compound with molecular formula C8H8O5 and molecular weight 184.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
内氧桥-Δ4-四氢邻苯二甲酸
7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
Also Known As: ETPA, 7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, Endoxo-delta(4)-tetrahydrophthalic acid, 7-Oxanorborna-2-ene-5,6-dicarboxylic acid, exo-3,6-Epoxy-1,2,3,6-tetrahydrophthalic Acid
| Molecular Formula | C8H8O5 |
|---|---|
| Molecular Weight | 184.04 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.03717 |
| Heavy Atoms | 13 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 51112-81-3 |
|---|---|
| SMILES | C1=CC2C(C(C1O2)C(=O)O)C(=O)O |
| InChIKey | ROWKCXLLOLDVIO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
内氧桥-Δ4-四氢邻苯二甲酸 (CAS 51112-81-3), with molecular formula C8H8O5 and molecular weight 184.04 g/mol. IUPAC: 7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid.
Chemical Property Profile of 内氧桥-Δ4-四氢邻苯二甲酸
Property Insights of 内氧桥-Δ4-四氢邻苯二甲酸
The XLogP value of -0.8 indicates that 内氧桥-Δ4-四氢邻苯二甲酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 内氧桥-Δ4-四氢邻苯二甲酸. Following Lipinski's Rule of Five, 内氧桥-Δ4-四氢邻苯二甲酸 has 2 hydrogen bond donor(s) and 5 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 内氧桥-Δ4-四氢邻苯二甲酸?
The CAS number of 内氧桥-Δ4-四氢邻苯二甲酸 is 51112-81-3.
What is the molecular formula of 内氧桥-Δ4-四氢邻苯二甲酸?
The molecular formula of 内氧桥-Δ4-四氢邻苯二甲酸 is C8H8O5.
What is the molecular weight of 内氧桥-Δ4-四氢邻苯二甲酸?
The molecular weight of 内氧桥-Δ4-四氢邻苯二甲酸 is 184.04 g/mol.
Where can I buy 内氧桥-Δ4-四氢邻苯二甲酸?
You can request a quote for 内氧桥-Δ4-四氢邻苯二甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 内氧桥-Δ4-四氢邻苯二甲酸?
Yes, KEHONG BIO provides custom synthesis services for 内氧桥-Δ4-四氢邻苯二甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.