2-(Propan-2-yl)phenyl 3-bromobenzoate
TL;DR: 2-(Propan-2-yl)phenyl 3-bromobenzoate (CAS 72468-92-9) is a chemical compound with molecular formula C16H15BrO2 and molecular weight 318.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-propan-2-ylphenyl) 3-bromobenzoate
Also Known As: 2-(propan-2-yl)phenyl 3-bromobenzoate, (2-propan-2-ylphenyl) 3-bromobenzoate, (2-propan-2-ylphenyl)3-bromobenzoate, Benzoic acid, 3-bromo-,2-(1-methylethyl)phenyl ester, 1H-1,2,4-Triazole,1,1'-(1,2-ethanediyl)bis[3,5-diheptyl
| Molecular Formula | C16H15BrO2 |
|---|---|
| Molecular Weight | 318.03 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.02554 |
| Heavy Atoms | 19 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 72468-92-9 |
|---|---|
| SMILES | CC(C)C1=CC=CC=C1OC(=O)C2=CC(=CC=C2)Br |
| InChIKey | VKOJPLGZKQLVST-UHFFFAOYSA-N |
Product Overview
2-(Propan-2-yl)phenyl 3-bromobenzoate (CAS 72468-92-9), with molecular formula C16H15BrO2 and molecular weight 318.03 g/mol. IUPAC: (2-propan-2-ylphenyl) 3-bromobenzoate.
Chemical Property Profile of 2-(Propan-2-yl)phenyl 3-bromobenzoate
Property Insights of 2-(Propan-2-yl)phenyl 3-bromobenzoate
The XLogP value of 5.1 indicates that 2-(Propan-2-yl)phenyl 3-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-(Propan-2-yl)phenyl 3-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Propan-2-yl)phenyl 3-bromobenzoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(Propan-2-yl)phenyl 3-bromobenzoate?
The CAS number of 2-(Propan-2-yl)phenyl 3-bromobenzoate is 72468-92-9.
What is the molecular formula of 2-(Propan-2-yl)phenyl 3-bromobenzoate?
The molecular formula of 2-(Propan-2-yl)phenyl 3-bromobenzoate is C16H15BrO2.
What is the molecular weight of 2-(Propan-2-yl)phenyl 3-bromobenzoate?
The molecular weight of 2-(Propan-2-yl)phenyl 3-bromobenzoate is 318.03 g/mol.
Where can I buy 2-(Propan-2-yl)phenyl 3-bromobenzoate?
You can request a quote for 2-(Propan-2-yl)phenyl 3-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Propan-2-yl)phenyl 3-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Propan-2-yl)phenyl 3-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.