Heptanoic acid, 2-bromo, methyl ester
TL;DR: Heptanoic acid, 2-bromo, methyl ester (CAS 26040-74-4) is a chemical compound with molecular formula C8H15BrO2 and molecular weight 222.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-bromoheptanoate
Also Known As: methyl 2-bromoheptanoate, Heptanoic acid, 2-bromo, methyl ester, methyl alpha-bromoheptanoate, Heptanoic acid, 2-bromo-, methyl ester, RefChem:347252
| Molecular Formula | C8H15BrO2 |
|---|---|
| Molecular Weight | 222.03 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.02554 |
| Heavy Atoms | 11 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 26040-74-4 |
|---|---|
| SMILES | CCCCCC(C(=O)OC)Br |
| InChIKey | XEENYBWXUFATQF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptanoic acid, 2-bromo, methyl ester (CAS 26040-74-4), with molecular formula C8H15BrO2 and molecular weight 222.03 g/mol. IUPAC: methyl 2-bromoheptanoate.
Chemical Property Profile of Heptanoic acid, 2-bromo, methyl ester
Property Insights of Heptanoic acid, 2-bromo, methyl ester
The XLogP value of 3.3 indicates that Heptanoic acid, 2-bromo, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Heptanoic acid, 2-bromo, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptanoic acid, 2-bromo, methyl ester has 0 hydrogen bond donor(s) and 2 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 Heptanoic acid, 2-bromo, methyl ester?
The CAS number of Heptanoic acid, 2-bromo, methyl ester is 26040-74-4.
What is the molecular formula of Heptanoic acid, 2-bromo, methyl ester?
The molecular formula of Heptanoic acid, 2-bromo, methyl ester is C8H15BrO2.
What is the molecular weight of Heptanoic acid, 2-bromo, methyl ester?
The molecular weight of Heptanoic acid, 2-bromo, methyl ester is 222.03 g/mol.
Where can I buy Heptanoic acid, 2-bromo, methyl ester?
You can request a quote for Heptanoic acid, 2-bromo, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptanoic acid, 2-bromo, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Heptanoic acid, 2-bromo, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.