Terephthalic acid mono(2-bromoethyl) ester
TL;DR: Terephthalic acid mono(2-bromoethyl) ester (CAS 173553-37-2) is a chemical compound with molecular formula C10H9BrO4 and molecular weight 271.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-bromoethoxycarbonyl)benzoic acid
Also Known As: Terephthalic acid mono(2-bromoethyl) ester, 4-(2-bromoethoxycarbonyl)benzoic Acid, 4-((2-Bromoethoxy)carbonyl)benzoic acid, 4-[(2-bromoethoxy)carbonyl]benzoic acid, terephthalic acid mono-2 bromoethyl ester
| Molecular Formula | C10H9BrO4 |
|---|---|
| Molecular Weight | 271.97 g/mol |
| LogP | 1.9365 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.9684 |
| Heavy Atoms | 15 |
| Complexity | 358.19006 |
Chemical Identifiers
| CAS Number | 173553-37-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)C(=O)OCCBr |
Product Overview
Terephthalic acid mono(2-bromoethyl) ester (CAS 173553-37-2), with molecular formula C10H9BrO4 and molecular weight 271.97 g/mol. IUPAC: 4-(2-bromoethoxycarbonyl)benzoic acid.
Chemical Property Profile of Terephthalic acid mono(2-bromoethyl) ester
Property Insights of Terephthalic acid mono(2-bromoethyl) ester
The XLogP value of 1.9365 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Terephthalic acid mono(2-bromoethyl) ester. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Terephthalic acid mono(2-bromoethyl) ester. Following Lipinski's Rule of Five, Terephthalic acid mono(2-bromoethyl) ester has 1 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 Terephthalic acid mono(2-bromoethyl) ester?
The CAS number of Terephthalic acid mono(2-bromoethyl) ester is 173553-37-2.
What is the molecular formula of Terephthalic acid mono(2-bromoethyl) ester?
The molecular formula of Terephthalic acid mono(2-bromoethyl) ester is C10H9BrO4.
What is the molecular weight of Terephthalic acid mono(2-bromoethyl) ester?
The molecular weight of Terephthalic acid mono(2-bromoethyl) ester is 271.97 g/mol.
Where can I buy Terephthalic acid mono(2-bromoethyl) ester?
You can request a quote for Terephthalic acid mono(2-bromoethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Terephthalic acid mono(2-bromoethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Terephthalic acid mono(2-bromoethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.