RefChem:71758
TL;DR: RefChem:71758 (CAS 68901-21-3) is a chemical compound with molecular formula C21H30O10 and molecular weight 442.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-carboxy-3-(2-carboxycyclohexanecarbonyl)oxy-2-methylpropoxy]carbonylcyclohexane-1-carboxylic acid
Also Known As: Dimethylolpropionic acid, hexahydrophthalic diester, 4-aminobenzenesulfonic acid,2-cyanoguanidine, 1,2-Cyclohexanedicarboxylic acid, 2-carboxy-2-methyl-1,3-propanediyl ester, 2-Carboxy-2-methylpropane-1,3-diyl cyclohexane-1,2-dicarboxylate, 1,2-Cyclohexanedicarboxylic acid, 1,1'-(2-carboxy-2-methyl-1,3-propanediyl) ester
| Molecular Formula | C21H30O10 |
|---|---|
| Molecular Weight | 442.18 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 442.1839 |
| Heavy Atoms | 31 |
| Complexity | 665.0 |
Chemical Identifiers
| CAS Number | 68901-21-3 |
|---|---|
| SMILES | CC(COC(=O)C1CCCCC1C(=O)O)(COC(=O)C2CCCCC2C(=O)O)C(=O)O |
| InChIKey | XUOHMOHDURPJMM-UHFFFAOYSA-N |
Product Overview
RefChem:71758 (CAS 68901-21-3), with molecular formula C21H30O10 and molecular weight 442.18 g/mol. IUPAC: 2-[2-carboxy-3-(2-carboxycyclohexanecarbonyl)oxy-2-methylpropoxy]carbonylcyclohexane-1-carboxylic acid.
Chemical Property Profile of RefChem:71758
Property Insights of RefChem:71758
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:71758. The TPSA of 165.0 Ų indicates high polarity, suggesting RefChem:71758 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:71758 has 3 hydrogen bond donor(s) and 10 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 RefChem:71758?
The CAS number of RefChem:71758 is 68901-21-3.
What is the molecular formula of RefChem:71758?
The molecular formula of RefChem:71758 is C21H30O10.
What is the molecular weight of RefChem:71758?
The molecular weight of RefChem:71758 is 442.18 g/mol.
Where can I buy RefChem:71758?
You can request a quote for RefChem:71758 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:71758?
Yes, KEHONG BIO provides custom synthesis services for RefChem:71758 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.