Methyl 7-bromoheptanoate
TL;DR: Methyl 7-bromoheptanoate (CAS 5416-86-4) 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 7-bromoheptanoate
Also Known As: Methyl 7-bromoheptanoate, methyl-7-bromoheptanoate, 7-Bromoheptanoic acid methyl ester, D-(-)-3-Thienylglycine, Methyl 7-bromoheptanoate #
| Molecular Formula | C8H15BrO2 |
|---|---|
| Molecular Weight | 222.03 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 222.02554 |
| Heavy Atoms | 11 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 5416-86-4 |
|---|---|
| SMILES | COC(=O)CCCCCCBr |
| InChIKey | BXRLUWIDTDLHQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 7-bromoheptanoate (CAS 5416-86-4), with molecular formula C8H15BrO2 and molecular weight 222.03 g/mol. IUPAC: methyl 7-bromoheptanoate.
Chemical Property Profile of Methyl 7-bromoheptanoate
Property Insights of Methyl 7-bromoheptanoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 7-bromoheptanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 7-bromoheptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 7-bromoheptanoate 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 Methyl 7-bromoheptanoate?
The CAS number of Methyl 7-bromoheptanoate is 5416-86-4.
What is the molecular formula of Methyl 7-bromoheptanoate?
The molecular formula of Methyl 7-bromoheptanoate is C8H15BrO2.
What is the molecular weight of Methyl 7-bromoheptanoate?
The molecular weight of Methyl 7-bromoheptanoate is 222.03 g/mol.
Where can I buy Methyl 7-bromoheptanoate?
You can request a quote for Methyl 7-bromoheptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 7-bromoheptanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 7-bromoheptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.