2-(Bromomethoxy)ethyl benzoate
TL;DR: 2-(Bromomethoxy)ethyl benzoate (CAS 101830-92-6) is a chemical compound with molecular formula C10H11BrO3 and molecular weight 257.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(bromomethoxy)ethyl benzoate
Also Known As: 2-(bromomethoxy)ethyl benzoate, NCI60_012507
| Molecular Formula | C10H11BrO3 |
|---|---|
| Molecular Weight | 257.99 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 257.98917 |
| Heavy Atoms | 14 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 101830-92-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCCOCBr |
| InChIKey | AZULTSCIGRESGB-UHFFFAOYSA-N |
Product Overview
2-(Bromomethoxy)ethyl benzoate (CAS 101830-92-6), with molecular formula C10H11BrO3 and molecular weight 257.99 g/mol. IUPAC: 2-(bromomethoxy)ethyl benzoate.
Chemical Property Profile of 2-(Bromomethoxy)ethyl benzoate
Property Insights of 2-(Bromomethoxy)ethyl benzoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Bromomethoxy)ethyl benzoate. With a topological polar surface area (TPSA) of 35.5 Ų, 2-(Bromomethoxy)ethyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Bromomethoxy)ethyl benzoate 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-(Bromomethoxy)ethyl benzoate?
The CAS number of 2-(Bromomethoxy)ethyl benzoate is 101830-92-6.
What is the molecular formula of 2-(Bromomethoxy)ethyl benzoate?
The molecular formula of 2-(Bromomethoxy)ethyl benzoate is C10H11BrO3.
What is the molecular weight of 2-(Bromomethoxy)ethyl benzoate?
The molecular weight of 2-(Bromomethoxy)ethyl benzoate is 257.99 g/mol.
Where can I buy 2-(Bromomethoxy)ethyl benzoate?
You can request a quote for 2-(Bromomethoxy)ethyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Bromomethoxy)ethyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Bromomethoxy)ethyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.