2,2-Dimethylpropyl phenyl carbonate
TL;DR: 2,2-Dimethylpropyl phenyl carbonate (CAS 13183-19-2) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpropyl phenyl carbonate
Also Known As: Neopentyl phenyl carbonate, Neopentyl-phenyl-carbonat, 2,2-dimethylpropyl phenyl carbonate, Neopentyl phenyl carbonate #, Carbonic acid, neopentyl phenyl ester
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 13183-19-2 |
|---|---|
| SMILES | CC(C)(C)COC(=O)OC1=CC=CC=C1 |
| InChIKey | NPZHSLKOUUVCQB-UHFFFAOYSA-N |
Product Overview
2,2-Dimethylpropyl phenyl carbonate (CAS 13183-19-2), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 2,2-dimethylpropyl phenyl carbonate.
Chemical Property Profile of 2,2-Dimethylpropyl phenyl carbonate
Property Insights of 2,2-Dimethylpropyl phenyl carbonate
The XLogP value of 3.8 indicates that 2,2-Dimethylpropyl phenyl carbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 2,2-Dimethylpropyl phenyl carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethylpropyl phenyl carbonate 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 2,2-Dimethylpropyl phenyl carbonate?
The CAS number of 2,2-Dimethylpropyl phenyl carbonate is 13183-19-2.
What is the molecular formula of 2,2-Dimethylpropyl phenyl carbonate?
The molecular formula of 2,2-Dimethylpropyl phenyl carbonate is C12H16O3.
What is the molecular weight of 2,2-Dimethylpropyl phenyl carbonate?
The molecular weight of 2,2-Dimethylpropyl phenyl carbonate is 208.11 g/mol.
Where can I buy 2,2-Dimethylpropyl phenyl carbonate?
You can request a quote for 2,2-Dimethylpropyl phenyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethylpropyl phenyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethylpropyl phenyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.