2,5-Hexanediol, 2,5-dimethyl-, 2,5-diacetate
TL;DR: 2,5-Hexanediol, 2,5-dimethyl-, 2,5-diacetate (CAS 56323-20-7) is a chemical compound with molecular formula C12H22O4 and molecular weight 230.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-acetyloxy-2,5-dimethylhexan-2-yl) acetate
Also Known As: 1,1,4,4-Tetramethylbutane-1,4-diyl diacetate, 2,5-diacetoxy-2,5-dimethylhexane, 2,5-dimethylhexane-2,5-diyl diacetate, (5-acetyloxy-2,5-dimethylhexan-2-yl) acetate, 2,5-Diacetoxy-2,5-dimethyl-hexan
| Molecular Formula | C12H22O4 |
|---|---|
| Molecular Weight | 230.15 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 230.15181 |
| Heavy Atoms | 16 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 56323-20-7 |
|---|---|
| SMILES | CC(=O)OC(C)(C)CCC(C)(C)OC(=O)C |
| InChIKey | JLERQYVUVOLBLH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Hexanediol, 2,5-dimethyl-, 2,5-diacetate (CAS 56323-20-7), with molecular formula C12H22O4 and molecular weight 230.15 g/mol. IUPAC: (5-acetyloxy-2,5-dimethylhexan-2-yl) acetate.
Chemical Property Profile of 2,5-Hexanediol, 2,5-dimethyl-, 2,5-diacetate
Property Insights of 2,5-Hexanediol, 2,5-dimethyl-, 2,5-diacetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Hexanediol, 2,5-dimethyl-, 2,5-diacetate. With a topological polar surface area (TPSA) of 52.6 Ų, 2,5-Hexanediol, 2,5-dimethyl-, 2,5-diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Hexanediol, 2,5-dimethyl-, 2,5-diacetate has 0 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 2,5-Hexanediol, 2,5-dimethyl-, 2,5-diacetate?
The CAS number of 2,5-Hexanediol, 2,5-dimethyl-, 2,5-diacetate is 56323-20-7.
What is the molecular formula of 2,5-Hexanediol, 2,5-dimethyl-, 2,5-diacetate?
The molecular formula of 2,5-Hexanediol, 2,5-dimethyl-, 2,5-diacetate is C12H22O4.
What is the molecular weight of 2,5-Hexanediol, 2,5-dimethyl-, 2,5-diacetate?
The molecular weight of 2,5-Hexanediol, 2,5-dimethyl-, 2,5-diacetate is 230.15 g/mol.
Where can I buy 2,5-Hexanediol, 2,5-dimethyl-, 2,5-diacetate?
You can request a quote for 2,5-Hexanediol, 2,5-dimethyl-, 2,5-diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Hexanediol, 2,5-dimethyl-, 2,5-diacetate?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Hexanediol, 2,5-dimethyl-, 2,5-diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.