Isopentyl 5-bromopentanoate
TL;DR: Isopentyl 5-bromopentanoate (CAS 13931-40-3) 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.
3-methylbutyl 5-bromopentanoate
Also Known As: Isopentyl 5-bromopentanoate, 3-methylbutyl 5-bromopentanoate, Isopentyl 5-bromopentanoate #, 5-Bromopentanoic acid, 3-methylbutyl ester, Pentanoic acid,5-bromo-, 3-methylbutyl ester
| Molecular Formula | C10H19BrO2 |
|---|---|
| Molecular Weight | 250.06 g/mol |
| LogP | 3.2 |
| 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 | 135.0 |
Chemical Identifiers
| CAS Number | 13931-40-3 |
|---|---|
| SMILES | CC(C)CCOC(=O)CCCCBr |
| InChIKey | GNSOBAMAWLMBTF-UHFFFAOYSA-N |
Product Overview
Isopentyl 5-bromopentanoate (CAS 13931-40-3), with molecular formula C10H19BrO2 and molecular weight 250.06 g/mol. IUPAC: 3-methylbutyl 5-bromopentanoate.
Chemical Property Profile of Isopentyl 5-bromopentanoate
Property Insights of Isopentyl 5-bromopentanoate
The XLogP value of 3.2 indicates that Isopentyl 5-bromopentanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Isopentyl 5-bromopentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopentyl 5-bromopentanoate 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 Isopentyl 5-bromopentanoate?
The CAS number of Isopentyl 5-bromopentanoate is 13931-40-3.
What is the molecular formula of Isopentyl 5-bromopentanoate?
The molecular formula of Isopentyl 5-bromopentanoate is C10H19BrO2.
What is the molecular weight of Isopentyl 5-bromopentanoate?
The molecular weight of Isopentyl 5-bromopentanoate is 250.06 g/mol.
Where can I buy Isopentyl 5-bromopentanoate?
You can request a quote for Isopentyl 5-bromopentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopentyl 5-bromopentanoate?
Yes, KEHONG BIO provides custom synthesis services for Isopentyl 5-bromopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.