Hexanedioic acid, ester with 2,2-dimethyl-1,3-propanediol
TL;DR: Hexanedioic acid, ester with 2,2-dimethyl-1,3-propanediol (CAS 856322-18-4) is a chemical compound with molecular formula C11H20O5 and molecular weight 232.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-hydroxy-2,2-dimethylpropoxy)-6-oxohexanoic acid
Also Known As: Neopentyl glycol adipate, starbld0009814, NPG-AA (LINEAR), 6- -6-oxo-hexanoicacid, Hexanedioic Acid 1-(3-Hydroxy-2,2-dimethylpropyl) Ester
| Molecular Formula | C11H20O5 |
|---|---|
| Molecular Weight | 232.13 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 232.13107 |
| Heavy Atoms | 16 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 856322-18-4 |
|---|---|
| SMILES | CC(C)(CO)COC(=O)CCCCC(=O)O |
| InChIKey | UEGQJTSGVSBXCN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexanedioic acid, ester with 2,2-dimethyl-1,3-propanediol (CAS 856322-18-4), with molecular formula C11H20O5 and molecular weight 232.13 g/mol. IUPAC: 6-(3-hydroxy-2,2-dimethylpropoxy)-6-oxohexanoic acid.
Chemical Property Profile of Hexanedioic acid, ester with 2,2-dimethyl-1,3-propanediol
Property Insights of Hexanedioic acid, ester with 2,2-dimethyl-1,3-propanediol
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexanedioic acid, ester with 2,2-dimethyl-1,3-propanediol. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexanedioic acid, ester with 2,2-dimethyl-1,3-propanediol. Following Lipinski's Rule of Five, Hexanedioic acid, ester with 2,2-dimethyl-1,3-propanediol 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 Hexanedioic acid, ester with 2,2-dimethyl-1,3-propanediol?
The CAS number of Hexanedioic acid, ester with 2,2-dimethyl-1,3-propanediol is 856322-18-4.
What is the molecular formula of Hexanedioic acid, ester with 2,2-dimethyl-1,3-propanediol?
The molecular formula of Hexanedioic acid, ester with 2,2-dimethyl-1,3-propanediol is C11H20O5.
What is the molecular weight of Hexanedioic acid, ester with 2,2-dimethyl-1,3-propanediol?
The molecular weight of Hexanedioic acid, ester with 2,2-dimethyl-1,3-propanediol is 232.13 g/mol.
Where can I buy Hexanedioic acid, ester with 2,2-dimethyl-1,3-propanediol?
You can request a quote for Hexanedioic acid, ester with 2,2-dimethyl-1,3-propanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanedioic acid, ester with 2,2-dimethyl-1,3-propanediol?
Yes, KEHONG BIO provides custom synthesis services for Hexanedioic acid, ester with 2,2-dimethyl-1,3-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.