四氢邻苯二甲酸
TL;DR: 四氢邻苯二甲酸 (CAS 88-98-2) is a chemical compound with molecular formula C8H10O4 and molecular weight 170.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
四氢邻苯二甲酸
cyclohex-4-ene-1,2-dicarboxylic acid
Also Known As: cyclohex-4-ene-1,2-dicarboxylic acid, TETRAHYDROPHTHALIC ACID, Captan metabolite, cis-4-Cyclohexene-1,2-dicarboxylic acid, 4-Cyclohexene-1,2-dicarboxylic acid
| Molecular Formula | C8H10O4 |
|---|---|
| Molecular Weight | 170.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.0579 |
| Heavy Atoms | 12 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 88-98-2 |
|---|---|
| SMILES | C1C=CCC(C1C(=O)O)C(=O)O |
| InChIKey | ILUAAIDVFMVTAU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
四氢邻苯二甲酸 (CAS 88-98-2), with molecular formula C8H10O4 and molecular weight 170.06 g/mol. IUPAC: cyclohex-4-ene-1,2-dicarboxylic acid.
Chemical Property Profile of 四氢邻苯二甲酸
Property Insights of 四氢邻苯二甲酸
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 四氢邻苯二甲酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 四氢邻苯二甲酸. Following Lipinski's Rule of Five, 四氢邻苯二甲酸 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 四氢邻苯二甲酸?
The CAS number of 四氢邻苯二甲酸 is 88-98-2.
What is the molecular formula of 四氢邻苯二甲酸?
The molecular formula of 四氢邻苯二甲酸 is C8H10O4.
What is the molecular weight of 四氢邻苯二甲酸?
The molecular weight of 四氢邻苯二甲酸 is 170.06 g/mol.
Where can I buy 四氢邻苯二甲酸?
You can request a quote for 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 四氢邻苯二甲酸?
Yes, KEHONG BIO provides custom synthesis services for 四氢邻苯二甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.