2,3-Dibromopropyl butanoate
TL;DR: 2,3-Dibromopropyl butanoate (CAS 6970-88-3) is a chemical compound with molecular formula C7H12Br2O2 and molecular weight 285.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dibromopropyl butanoate
Also Known As: 2,3-dibromopropyl butanoate, butyric acid-(2,3-dibromo-propyl ester)
| Molecular Formula | C7H12Br2O2 |
|---|---|
| Molecular Weight | 285.92 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 285.9204 |
| Heavy Atoms | 11 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 6970-88-3 |
|---|---|
| SMILES | CCCC(=O)OCC(CBr)Br |
| InChIKey | QBSSONRXVOSUDT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Dibromopropyl butanoate (CAS 6970-88-3), with molecular formula C7H12Br2O2 and molecular weight 285.92 g/mol. IUPAC: 2,3-dibromopropyl butanoate.
Chemical Property Profile of 2,3-Dibromopropyl butanoate
Property Insights of 2,3-Dibromopropyl butanoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dibromopropyl butanoate. With a topological polar surface area (TPSA) of 26.3 Ų, 2,3-Dibromopropyl butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dibromopropyl butanoate 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 2,3-Dibromopropyl butanoate?
The CAS number of 2,3-Dibromopropyl butanoate is 6970-88-3.
What is the molecular formula of 2,3-Dibromopropyl butanoate?
The molecular formula of 2,3-Dibromopropyl butanoate is C7H12Br2O2.
What is the molecular weight of 2,3-Dibromopropyl butanoate?
The molecular weight of 2,3-Dibromopropyl butanoate is 285.92 g/mol.
Where can I buy 2,3-Dibromopropyl butanoate?
You can request a quote for 2,3-Dibromopropyl butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dibromopropyl butanoate?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dibromopropyl butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.