Carbonic acid, bis(2-methylpropyl) ester
TL;DR: Carbonic acid, bis(2-methylpropyl) ester (CAS 539-92-4) is a chemical compound with molecular formula C9H18O3 and molecular weight 174.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-methylpropyl) carbonate
Also Known As: Diisobutyl carbonate, Isobutyl carbonate, bis(2-methylpropyl) carbonate, diisobutylcarbonate, di-iso-butyl carbonate
| Molecular Formula | C9H18O3 |
|---|---|
| Molecular Weight | 174.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 174.1256 |
| Heavy Atoms | 12 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 539-92-4 |
|---|---|
| SMILES | CC(C)COC(=O)OCC(C)C |
| InChIKey | UXXXZMDJQLPQPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbonic acid, bis(2-methylpropyl) ester (CAS 539-92-4), with molecular formula C9H18O3 and molecular weight 174.13 g/mol. IUPAC: bis(2-methylpropyl) carbonate.
Chemical Property Profile of Carbonic acid, bis(2-methylpropyl) ester
Property Insights of Carbonic acid, bis(2-methylpropyl) ester
The XLogP value of 3.2 indicates that Carbonic acid, bis(2-methylpropyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Carbonic acid, bis(2-methylpropyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonic acid, bis(2-methylpropyl) ester has 0 hydrogen bond donor(s) and 3 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 Carbonic acid, bis(2-methylpropyl) ester?
The CAS number of Carbonic acid, bis(2-methylpropyl) ester is 539-92-4.
What is the molecular formula of Carbonic acid, bis(2-methylpropyl) ester?
The molecular formula of Carbonic acid, bis(2-methylpropyl) ester is C9H18O3.
What is the molecular weight of Carbonic acid, bis(2-methylpropyl) ester?
The molecular weight of Carbonic acid, bis(2-methylpropyl) ester is 174.13 g/mol.
Where can I buy Carbonic acid, bis(2-methylpropyl) ester?
You can request a quote for Carbonic acid, bis(2-methylpropyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonic acid, bis(2-methylpropyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid, bis(2-methylpropyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.