Dimethyl 2-bromoterephthalate
TL;DR: Dimethyl 2-bromoterephthalate (CAS 18643-86-2) 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.
dimethyl 2-bromobenzene-1,4-dicarboxylate
Also Known As: Dimethyl 2-bromoterephthalate, Dimethyl bromoterephthalate, Dimethyl 2-bromotertphthalate, dimethyl-2-bromterephthalat, dimethyl 2-bromobenzene-1,4-dicarboxylate
| Molecular Formula | C10H9BrO4 |
|---|---|
| Molecular Weight | 271.97 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.9684 |
| Heavy Atoms | 15 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 18643-86-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)Br |
| InChIKey | VUMPFOPENBVFOF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 2-bromoterephthalate (CAS 18643-86-2), with molecular formula C10H9BrO4 and molecular weight 271.97 g/mol. IUPAC: dimethyl 2-bromobenzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl 2-bromoterephthalate
Property Insights of Dimethyl 2-bromoterephthalate
The XLogP value of 3.3 indicates that Dimethyl 2-bromoterephthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 2-bromoterephthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2-bromoterephthalate has 0 hydrogen bond donor(s) and 4 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 Dimethyl 2-bromoterephthalate?
The CAS number of Dimethyl 2-bromoterephthalate is 18643-86-2.
What is the molecular formula of Dimethyl 2-bromoterephthalate?
The molecular formula of Dimethyl 2-bromoterephthalate is C10H9BrO4.
What is the molecular weight of Dimethyl 2-bromoterephthalate?
The molecular weight of Dimethyl 2-bromoterephthalate is 271.97 g/mol.
Where can I buy Dimethyl 2-bromoterephthalate?
You can request a quote for Dimethyl 2-bromoterephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-bromoterephthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-bromoterephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.