Hexanoic acid, 2-bromo-, methyl ester
TL;DR: Hexanoic acid, 2-bromo-, methyl ester (CAS 5445-19-2) is a chemical compound with molecular formula C7H13BrO2 and molecular weight 208.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-bromohexanoate
Also Known As: Methyl 2-bromohexanoate, Methyl 2-bromocaproate, 2-BROMOHEXANOIC ACID METHYL ESTER, methyl bromohexanoate, METHYL2-BROMOHEXANOATE
| Molecular Formula | C7H13BrO2 |
|---|---|
| Molecular Weight | 208.01 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.00989 |
| Heavy Atoms | 10 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 5445-19-2 |
|---|---|
| SMILES | CCCCC(C(=O)OC)Br |
| InChIKey | YGLPDRIMFIXNBI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexanoic acid, 2-bromo-, methyl ester (CAS 5445-19-2), with molecular formula C7H13BrO2 and molecular weight 208.01 g/mol. IUPAC: methyl 2-bromohexanoate.
Chemical Property Profile of Hexanoic acid, 2-bromo-, methyl ester
Property Insights of Hexanoic acid, 2-bromo-, methyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexanoic acid, 2-bromo-, methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Hexanoic acid, 2-bromo-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanoic 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 Hexanoic acid, 2-bromo-, methyl ester?
The CAS number of Hexanoic acid, 2-bromo-, methyl ester is 5445-19-2.
What is the molecular formula of Hexanoic acid, 2-bromo-, methyl ester?
The molecular formula of Hexanoic acid, 2-bromo-, methyl ester is C7H13BrO2.
What is the molecular weight of Hexanoic acid, 2-bromo-, methyl ester?
The molecular weight of Hexanoic acid, 2-bromo-, methyl ester is 208.01 g/mol.
Where can I buy Hexanoic acid, 2-bromo-, methyl ester?
You can request a quote for Hexanoic 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 Hexanoic acid, 2-bromo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexanoic acid, 2-bromo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.