Diethyl (5-bromopentyl)propanedioate
TL;DR: Diethyl (5-bromopentyl)propanedioate (CAS 1906-95-2) is a chemical compound with molecular formula C12H21BrO4 and molecular weight 308.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(5-bromopentyl)propanedioate
Also Known As: Diethyl (5-Bromopentyl)malonate, (5-Bromopentyl)malonic Acid Diethyl Ester, diethyl 2-(5-bromopentyl)malonate, Diethyl 2-(5-bromopentyl)propanedioate, 1,3-diethyl 2-(5-bromopentyl)propanedioate
| Molecular Formula | C12H21BrO4 |
|---|---|
| Molecular Weight | 308.06 g/mol |
| LogP | 2.6841 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 308.06232 |
| Heavy Atoms | 17 |
| Complexity | 212.54552 |
Chemical Identifiers
| CAS Number | 1906-95-2 |
|---|---|
| SMILES | CCOC(=O)C(CCCCCBr)C(=O)OCC |
Product Overview
Diethyl (5-bromopentyl)propanedioate (CAS 1906-95-2), with molecular formula C12H21BrO4 and molecular weight 308.06 g/mol. IUPAC: diethyl 2-(5-bromopentyl)propanedioate.
Chemical Property Profile of Diethyl (5-bromopentyl)propanedioate
Property Insights of Diethyl (5-bromopentyl)propanedioate
The XLogP value of 2.6841 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (5-bromopentyl)propanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl (5-bromopentyl)propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl (5-bromopentyl)propanedioate has 0 hydrogen bond donor(s) and 4 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 Diethyl (5-bromopentyl)propanedioate?
The CAS number of Diethyl (5-bromopentyl)propanedioate is 1906-95-2.
What is the molecular formula of Diethyl (5-bromopentyl)propanedioate?
The molecular formula of Diethyl (5-bromopentyl)propanedioate is C12H21BrO4.
What is the molecular weight of Diethyl (5-bromopentyl)propanedioate?
The molecular weight of Diethyl (5-bromopentyl)propanedioate is 308.06 g/mol.
Where can I buy Diethyl (5-bromopentyl)propanedioate?
You can request a quote for Diethyl (5-bromopentyl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (5-bromopentyl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (5-bromopentyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.