羟基特戊酸新戊二醇单酯
TL;DR: 羟基特戊酸新戊二醇单酯 (CAS 1115-20-4) is a chemical compound with molecular formula C10H20O4 and molecular weight 204.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
羟基特戊酸新戊二醇单酯
(3-hydroxy-2,2-dimethylpropyl) 3-hydroxy-2,2-dimethylpropanoate
Also Known As: Esterdiol 204, ammoniumcarbamate, Ester diol 204, 3-Hydroxy-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropanoate, esterdiol204
| Molecular Formula | C10H20O4 |
|---|---|
| Molecular Weight | 204.14 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 204.13615 |
| Heavy Atoms | 14 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 1115-20-4 |
|---|---|
| SMILES | CC(C)(CO)COC(=O)C(C)(C)CO |
| InChIKey | SZCWBURCISJFEZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
羟基特戊酸新戊二醇单酯 (CAS 1115-20-4), with molecular formula C10H20O4 and molecular weight 204.14 g/mol. IUPAC: (3-hydroxy-2,2-dimethylpropyl) 3-hydroxy-2,2-dimethylpropanoate.
Chemical Property Profile of 羟基特戊酸新戊二醇单酯
Property Insights of 羟基特戊酸新戊二醇单酯
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 羟基特戊酸新戊二醇单酯. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 羟基特戊酸新戊二醇单酯. Following Lipinski's Rule of Five, 羟基特戊酸新戊二醇单酯 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 羟基特戊酸新戊二醇单酯?
The CAS number of 羟基特戊酸新戊二醇单酯 is 1115-20-4.
What is the molecular formula of 羟基特戊酸新戊二醇单酯?
The molecular formula of 羟基特戊酸新戊二醇单酯 is C10H20O4.
What is the molecular weight of 羟基特戊酸新戊二醇单酯?
The molecular weight of 羟基特戊酸新戊二醇单酯 is 204.14 g/mol.
Where can I buy 羟基特戊酸新戊二醇单酯?
You can request a quote for 羟基特戊酸新戊二醇单酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 羟基特戊酸新戊二醇单酯?
Yes, KEHONG BIO provides custom synthesis services for 羟基特戊酸新戊二醇单酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.