4-Bromooct-2-enoic acid
TL;DR: 4-Bromooct-2-enoic acid (CAS 115185-86-9) is a chemical compound with molecular formula C8H13BrO2 and molecular weight 220.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromooct-2-enoic acid
Also Known As: 2-Octenoic acid,4-bromo-, 4-Bromo-2-octenoic acid, 4-BROMOOCT-2-ENOIC ACID
| Molecular Formula | C8H13BrO2 |
|---|---|
| Molecular Weight | 220.01 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.00989 |
| Heavy Atoms | 11 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 115185-86-9 |
|---|---|
| SMILES | CCCCC(C=CC(=O)O)Br |
| InChIKey | FZILSBUDCYKRKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromooct-2-enoic acid (CAS 115185-86-9), with molecular formula C8H13BrO2 and molecular weight 220.01 g/mol. IUPAC: 4-bromooct-2-enoic acid.
Chemical Property Profile of 4-Bromooct-2-enoic acid
Property Insights of 4-Bromooct-2-enoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromooct-2-enoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Bromooct-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromooct-2-enoic acid has 1 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 4-Bromooct-2-enoic acid?
The CAS number of 4-Bromooct-2-enoic acid is 115185-86-9.
What is the molecular formula of 4-Bromooct-2-enoic acid?
The molecular formula of 4-Bromooct-2-enoic acid is C8H13BrO2.
What is the molecular weight of 4-Bromooct-2-enoic acid?
The molecular weight of 4-Bromooct-2-enoic acid is 220.01 g/mol.
Where can I buy 4-Bromooct-2-enoic acid?
You can request a quote for 4-Bromooct-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromooct-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromooct-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.