Octanoic acid, 2-bromo-, methyl ester
TL;DR: Octanoic acid, 2-bromo-, methyl ester (CAS 5445-22-7) is a chemical compound with molecular formula C9H17BrO2 and molecular weight 236.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-bromooctanoate
Also Known As: Methyl 2-bromooctanoate, Methyl2-bromooctanoate, Octanoic acid, 2-bromo-, methyl ester, 2-Bromooctanoic acid methyl ester, 2-Bromocaprylic methyl ester 10g
| Molecular Formula | C9H17BrO2 |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 236.04118 |
| Heavy Atoms | 12 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 5445-22-7 |
|---|---|
| SMILES | CCCCCCC(C(=O)OC)Br |
| InChIKey | RCMQQTUVWBXJQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octanoic acid, 2-bromo-, methyl ester (CAS 5445-22-7), with molecular formula C9H17BrO2 and molecular weight 236.04 g/mol. IUPAC: methyl 2-bromooctanoate.
Chemical Property Profile of Octanoic acid, 2-bromo-, methyl ester
Property Insights of Octanoic acid, 2-bromo-, methyl ester
The XLogP value of 3.8 indicates that Octanoic 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, Octanoic acid, 2-bromo-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octanoic 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 Octanoic acid, 2-bromo-, methyl ester?
The CAS number of Octanoic acid, 2-bromo-, methyl ester is 5445-22-7.
What is the molecular formula of Octanoic acid, 2-bromo-, methyl ester?
The molecular formula of Octanoic acid, 2-bromo-, methyl ester is C9H17BrO2.
What is the molecular weight of Octanoic acid, 2-bromo-, methyl ester?
The molecular weight of Octanoic acid, 2-bromo-, methyl ester is 236.04 g/mol.
Where can I buy Octanoic acid, 2-bromo-, methyl ester?
You can request a quote for Octanoic 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 Octanoic acid, 2-bromo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Octanoic acid, 2-bromo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.