2-(Hydroxymethyl)-2-methylpentyl 2-(hydroxymethyl)-2-methylvalerate
TL;DR: 2-(Hydroxymethyl)-2-methylpentyl 2-(hydroxymethyl)-2-methylvalerate (CAS 60457-92-3) is a chemical compound with molecular formula C14H28O4 and molecular weight 260.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(hydroxymethyl)-2-methylpentyl] 2-(hydroxymethyl)-2-methylpentanoate
Also Known As: 2-2-methylpentyl2-2-methylvalerate, 2- -2-methylpentyl2- -2-methylvalerate, 2-(Hydroxymethyl)-2-methylpentyl 2-(hydroxymethyl)-2-methylvalerate, 2-(hydroxymethyl)-2-methylpentyl 2-(hydroxymethyl)-2-methylpentanoate, [2-(hydroxymethyl)-2-methylpentyl] 2-(hydroxymethyl)-2-methylpentanoate
| Molecular Formula | C14H28O4 |
|---|---|
| Molecular Weight | 260.20 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 260.19876 |
| Heavy Atoms | 18 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 60457-92-3 |
|---|---|
| SMILES | CCCC(C)(CO)COC(=O)C(C)(CCC)CO |
| InChIKey | WXCVYDAVMKYAPF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Hydroxymethyl)-2-methylpentyl 2-(hydroxymethyl)-2-methylvalerate (CAS 60457-92-3), with molecular formula C14H28O4 and molecular weight 260.20 g/mol. IUPAC: [2-(hydroxymethyl)-2-methylpentyl] 2-(hydroxymethyl)-2-methylpentanoate.
Chemical Property Profile of 2-(Hydroxymethyl)-2-methylpentyl 2-(hydroxymethyl)-2-methylvalerate
Property Insights of 2-(Hydroxymethyl)-2-methylpentyl 2-(hydroxymethyl)-2-methylvalerate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Hydroxymethyl)-2-methylpentyl 2-(hydroxymethyl)-2-methylvalerate. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Hydroxymethyl)-2-methylpentyl 2-(hydroxymethyl)-2-methylvalerate. Following Lipinski's Rule of Five, 2-(Hydroxymethyl)-2-methylpentyl 2-(hydroxymethyl)-2-methylvalerate 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 2-(Hydroxymethyl)-2-methylpentyl 2-(hydroxymethyl)-2-methylvalerate?
The CAS number of 2-(Hydroxymethyl)-2-methylpentyl 2-(hydroxymethyl)-2-methylvalerate is 60457-92-3.
What is the molecular formula of 2-(Hydroxymethyl)-2-methylpentyl 2-(hydroxymethyl)-2-methylvalerate?
The molecular formula of 2-(Hydroxymethyl)-2-methylpentyl 2-(hydroxymethyl)-2-methylvalerate is C14H28O4.
What is the molecular weight of 2-(Hydroxymethyl)-2-methylpentyl 2-(hydroxymethyl)-2-methylvalerate?
The molecular weight of 2-(Hydroxymethyl)-2-methylpentyl 2-(hydroxymethyl)-2-methylvalerate is 260.20 g/mol.
Where can I buy 2-(Hydroxymethyl)-2-methylpentyl 2-(hydroxymethyl)-2-methylvalerate?
You can request a quote for 2-(Hydroxymethyl)-2-methylpentyl 2-(hydroxymethyl)-2-methylvalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Hydroxymethyl)-2-methylpentyl 2-(hydroxymethyl)-2-methylvalerate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Hydroxymethyl)-2-methylpentyl 2-(hydroxymethyl)-2-methylvalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.