双(新戊二醇)羟基新戊酸酯
TL;DR: 双(新戊二醇)羟基新戊酸酯 (CAS 112484-43-2) is a chemical compound with molecular formula C15H30O5 and molecular weight 290.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
双(新戊二醇)羟基新戊酸酯
2,2-dimethylpropyl 3-hydroxy-3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropanoate
Also Known As: Di(neopentylglycol) hydroxypivalate, Hydroxypivalic acid, di(neopentylglycol) ester, Propanoic acid, 3-hydroxy-2,2-dimethyl-, 3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropyl ester, 2,2-dimethylpropyl 3-hydroxy-3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropanoate
| Molecular Formula | C15H30O5 |
|---|---|
| Molecular Weight | 290.21 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 290.20932 |
| Heavy Atoms | 20 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 112484-43-2 |
|---|---|
| SMILES | CC(C)(C)COC(=O)C(C)(C)C(O)OCC(C)(C)CO |
| InChIKey | NTHVXGUXZILPFV-UHFFFAOYSA-N |
Product Overview
双(新戊二醇)羟基新戊酸酯 (CAS 112484-43-2), with molecular formula C15H30O5 and molecular weight 290.21 g/mol. IUPAC: 2,2-dimethylpropyl 3-hydroxy-3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropanoate.
Chemical Property Profile of 双(新戊二醇)羟基新戊酸酯
Property Insights of 双(新戊二醇)羟基新戊酸酯
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 双(新戊二醇)羟基新戊酸酯. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 双(新戊二醇)羟基新戊酸酯. Following Lipinski's Rule of Five, 双(新戊二醇)羟基新戊酸酯 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 双(新戊二醇)羟基新戊酸酯?
The CAS number of 双(新戊二醇)羟基新戊酸酯 is 112484-43-2.
What is the molecular formula of 双(新戊二醇)羟基新戊酸酯?
The molecular formula of 双(新戊二醇)羟基新戊酸酯 is C15H30O5.
What is the molecular weight of 双(新戊二醇)羟基新戊酸酯?
The molecular weight of 双(新戊二醇)羟基新戊酸酯 is 290.21 g/mol.
Where can I buy 双(新戊二醇)羟基新戊酸酯?
You can request a quote for 双(新戊二醇)羟基新戊酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 双(新戊二醇)羟基新戊酸酯?
Yes, KEHONG BIO provides custom synthesis services for 双(新戊二醇)羟基新戊酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.