Propyl 2-bromobutanoate
TL;DR: Propyl 2-bromobutanoate (CAS 6318-82-7) 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.
propyl 2-bromobutanoate
Also Known As: Propyl 2-bromobutanoate, Propyl 2-bromobutanoate #, Butyric acid, 2-bromo-, propyl ester, Butyric acid,2-bromo-,propyl ester, RefChem:375524
| 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 | 6318-82-7 |
|---|---|
| SMILES | CCCOC(=O)C(CC)Br |
| InChIKey | BJPYPGKBFMZGDQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propyl 2-bromobutanoate (CAS 6318-82-7), with molecular formula C7H13BrO2 and molecular weight 208.01 g/mol. IUPAC: propyl 2-bromobutanoate.
Chemical Property Profile of Propyl 2-bromobutanoate
Property Insights of Propyl 2-bromobutanoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl 2-bromobutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Propyl 2-bromobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 2-bromobutanoate 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 Propyl 2-bromobutanoate?
The CAS number of Propyl 2-bromobutanoate is 6318-82-7.
What is the molecular formula of Propyl 2-bromobutanoate?
The molecular formula of Propyl 2-bromobutanoate is C7H13BrO2.
What is the molecular weight of Propyl 2-bromobutanoate?
The molecular weight of Propyl 2-bromobutanoate is 208.01 g/mol.
Where can I buy Propyl 2-bromobutanoate?
You can request a quote for Propyl 2-bromobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 2-bromobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 2-bromobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.