Heptyl 2-bromopropanoate
TL;DR: Heptyl 2-bromopropanoate (CAS 38674-99-6) is a chemical compound with molecular formula C10H19BrO2 and molecular weight 250.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl 2-bromopropanoate
Also Known As: Heptyl 2-bromopropanoate, Heptyl 2-bromopropanoate #, 2- Bromopropionic acid, heptyl ester, 2-Bromopropionic acid, heptyl ester, Propanoic acid,2-bromo-,heptyl ester
| Molecular Formula | C10H19BrO2 |
|---|---|
| Molecular Weight | 250.06 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 250.05684 |
| Heavy Atoms | 13 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 38674-99-6 |
|---|---|
| SMILES | CCCCCCCOC(=O)C(C)Br |
| InChIKey | XOLHAEPYINTAFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptyl 2-bromopropanoate (CAS 38674-99-6), with molecular formula C10H19BrO2 and molecular weight 250.06 g/mol. IUPAC: heptyl 2-bromopropanoate.
Chemical Property Profile of Heptyl 2-bromopropanoate
Property Insights of Heptyl 2-bromopropanoate
The XLogP value of 4.2 indicates that Heptyl 2-bromopropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Heptyl 2-bromopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptyl 2-bromopropanoate 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 Heptyl 2-bromopropanoate?
The CAS number of Heptyl 2-bromopropanoate is 38674-99-6.
What is the molecular formula of Heptyl 2-bromopropanoate?
The molecular formula of Heptyl 2-bromopropanoate is C10H19BrO2.
What is the molecular weight of Heptyl 2-bromopropanoate?
The molecular weight of Heptyl 2-bromopropanoate is 250.06 g/mol.
Where can I buy Heptyl 2-bromopropanoate?
You can request a quote for Heptyl 2-bromopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptyl 2-bromopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl 2-bromopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.