2,2-Dimethylpropane-1,3-diyl dihexahydrophthalate
TL;DR: 2,2-Dimethylpropane-1,3-diyl dihexahydrophthalate (CAS 43135-99-5) is a chemical compound with molecular formula C21H32O8 and molecular weight 412.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(1,2-dicarboxycyclohexyl)-2,2-dimethylpropyl]cyclohexane-1,2-dicarboxylic acid
Also Known As: EINECS 256-112-7, 2,2-Dimethylpropane-1,3-diyl dihexahydrophthalate, 1,1'-(2,2-Dimethylpropane-1,3-diyl)di(cyclohexane-1,2-dicarboxylic acid), 1,2-Cyclohexanedicarboxylic acid, 2,2-dimethyl-1,3-propanediyl ester, 1,2-Cyclohexanedicarboxylicacid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester
| Molecular Formula | C21H32O8 |
|---|---|
| Molecular Weight | 412.21 g/mol |
| LogP | 3.4844 |
| Topological Polar Surface Area | 149.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 412.20972 |
| Heavy Atoms | 29 |
| Complexity | 628.1686 |
Chemical Identifiers
| CAS Number | 43135-99-5 |
|---|---|
| SMILES | CC(C)(CC1(CCCCC1C(=O)O)C(=O)O)CC2(CCCCC2C(=O)O)C(=O)O |
Product Overview
2,2-Dimethylpropane-1,3-diyl dihexahydrophthalate (CAS 43135-99-5), with molecular formula C21H32O8 and molecular weight 412.21 g/mol. IUPAC: 1-[3-(1,2-dicarboxycyclohexyl)-2,2-dimethylpropyl]cyclohexane-1,2-dicarboxylic acid.
Chemical Property Profile of 2,2-Dimethylpropane-1,3-diyl dihexahydrophthalate
Property Insights of 2,2-Dimethylpropane-1,3-diyl dihexahydrophthalate
The XLogP value of 3.4844 indicates that 2,2-Dimethylpropane-1,3-diyl dihexahydrophthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.2 Ų indicates high polarity, suggesting 2,2-Dimethylpropane-1,3-diyl dihexahydrophthalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,2-Dimethylpropane-1,3-diyl dihexahydrophthalate has 4 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 2,2-Dimethylpropane-1,3-diyl dihexahydrophthalate?
The CAS number of 2,2-Dimethylpropane-1,3-diyl dihexahydrophthalate is 43135-99-5.
What is the molecular formula of 2,2-Dimethylpropane-1,3-diyl dihexahydrophthalate?
The molecular formula of 2,2-Dimethylpropane-1,3-diyl dihexahydrophthalate is C21H32O8.
What is the molecular weight of 2,2-Dimethylpropane-1,3-diyl dihexahydrophthalate?
The molecular weight of 2,2-Dimethylpropane-1,3-diyl dihexahydrophthalate is 412.21 g/mol.
Where can I buy 2,2-Dimethylpropane-1,3-diyl dihexahydrophthalate?
You can request a quote for 2,2-Dimethylpropane-1,3-diyl dihexahydrophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethylpropane-1,3-diyl dihexahydrophthalate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethylpropane-1,3-diyl dihexahydrophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.