2-Bromo-4-methylphenyl 2-methylpropyl carbonate
TL;DR: 2-Bromo-4-methylphenyl 2-methylpropyl carbonate (CAS 5419-15-8) is a chemical compound with molecular formula C12H15BrO3 and molecular weight 286.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromo-4-methylphenyl) 2-methylpropyl carbonate
Also Known As: 2-bromo-4-methylphenyl isobutyl carbonate, 2-bromo-4-methylphenyl 2-methylpropyl carbonate, (2-bromo-4-methylphenyl) 2-methylpropyl carbonate, (2-bromo-4-methylphenyl)2-methylpropyl carbonate, Cambridge id 5406724
| Molecular Formula | C12H15BrO3 |
|---|---|
| Molecular Weight | 286.02 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 286.02045 |
| Heavy Atoms | 16 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 5419-15-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC(=O)OCC(C)C)Br |
| InChIKey | ZFGIQTSLNQZFEC-UHFFFAOYSA-N |
Product Overview
2-Bromo-4-methylphenyl 2-methylpropyl carbonate (CAS 5419-15-8), with molecular formula C12H15BrO3 and molecular weight 286.02 g/mol. IUPAC: (2-bromo-4-methylphenyl) 2-methylpropyl carbonate.
Chemical Property Profile of 2-Bromo-4-methylphenyl 2-methylpropyl carbonate
Property Insights of 2-Bromo-4-methylphenyl 2-methylpropyl carbonate
The XLogP value of 4.5 indicates that 2-Bromo-4-methylphenyl 2-methylpropyl 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-Bromo-4-methylphenyl 2-methylpropyl carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-4-methylphenyl 2-methylpropyl 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-Bromo-4-methylphenyl 2-methylpropyl carbonate?
The CAS number of 2-Bromo-4-methylphenyl 2-methylpropyl carbonate is 5419-15-8.
What is the molecular formula of 2-Bromo-4-methylphenyl 2-methylpropyl carbonate?
The molecular formula of 2-Bromo-4-methylphenyl 2-methylpropyl carbonate is C12H15BrO3.
What is the molecular weight of 2-Bromo-4-methylphenyl 2-methylpropyl carbonate?
The molecular weight of 2-Bromo-4-methylphenyl 2-methylpropyl carbonate is 286.02 g/mol.
Where can I buy 2-Bromo-4-methylphenyl 2-methylpropyl carbonate?
You can request a quote for 2-Bromo-4-methylphenyl 2-methylpropyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-4-methylphenyl 2-methylpropyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4-methylphenyl 2-methylpropyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.