二氢-2H-吡喃-4,4(3H)-二甲酸
TL;DR: 二氢-2H-吡喃-4,4(3H)-二甲酸 (CAS 118129-60-5) is a chemical compound with molecular formula C7H10O5 and molecular weight 174.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二氢-2H-吡喃-4,4(3H)-二甲酸
oxane-4,4-dicarboxylic acid
Also Known As: Dihydro-2H-pyran-4,4(3H)-dicarboxylic acid, oxane-4,4-dicarboxylic acid, 4,4-Tetrahydropyrandicarboxylic Acid, tetrahydro-4h-pyran-4,4-dicarboxylic acid, Dronedarone Impurity 73
| Molecular Formula | C7H10O5 |
|---|---|
| Molecular Weight | 174.05 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.05283 |
| Heavy Atoms | 12 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 118129-60-5 |
|---|---|
| SMILES | C1COCCC1(C(=O)O)C(=O)O |
| InChIKey | LAHAPBJSVSVFGR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二氢-2H-吡喃-4,4(3H)-二甲酸 (CAS 118129-60-5), with molecular formula C7H10O5 and molecular weight 174.05 g/mol. IUPAC: oxane-4,4-dicarboxylic acid.
Chemical Property Profile of 二氢-2H-吡喃-4,4(3H)-二甲酸
Property Insights of 二氢-2H-吡喃-4,4(3H)-二甲酸
The XLogP value of -0.3 indicates that 二氢-2H-吡喃-4,4(3H)-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 二氢-2H-吡喃-4,4(3H)-二甲酸. Following Lipinski's Rule of Five, 二氢-2H-吡喃-4,4(3H)-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 二氢-2H-吡喃-4,4(3H)-二甲酸?
The CAS number of 二氢-2H-吡喃-4,4(3H)-二甲酸 is 118129-60-5.
What is the molecular formula of 二氢-2H-吡喃-4,4(3H)-二甲酸?
The molecular formula of 二氢-2H-吡喃-4,4(3H)-二甲酸 is C7H10O5.
What is the molecular weight of 二氢-2H-吡喃-4,4(3H)-二甲酸?
The molecular weight of 二氢-2H-吡喃-4,4(3H)-二甲酸 is 174.05 g/mol.
Where can I buy 二氢-2H-吡喃-4,4(3H)-二甲酸?
You can request a quote for 二氢-2H-吡喃-4,4(3H)-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 二氢-2H-吡喃-4,4(3H)-二甲酸?
Yes, KEHONG BIO provides custom synthesis services for 二氢-2H-吡喃-4,4(3H)-二甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.