Butyl tetrahydrofuran-2-carboxylate
TL;DR: Butyl tetrahydrofuran-2-carboxylate (CAS 83867-83-8) is a chemical compound with molecular formula C9H16O3 and molecular weight 172.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl oxolane-2-carboxylate
Also Known As: Butyl Oxolane-2-carboxylate, Butyl tetrahydrofuran-2-carboxylate
| Molecular Formula | C9H16O3 |
|---|---|
| Molecular Weight | 172.11 g/mol |
| LogP | 1.5087 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 172.10994 |
| Heavy Atoms | 12 |
| Complexity | 138.70908 |
Chemical Identifiers
| CAS Number | 83867-83-8 |
|---|---|
| SMILES | CCCCOC(=O)C1CCCO1 |
Product Overview
Butyl tetrahydrofuran-2-carboxylate (CAS 83867-83-8), with molecular formula C9H16O3 and molecular weight 172.11 g/mol. IUPAC: butyl oxolane-2-carboxylate.
Chemical Property Profile of Butyl tetrahydrofuran-2-carboxylate
Property Insights of Butyl tetrahydrofuran-2-carboxylate
The XLogP value of 1.5087 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl tetrahydrofuran-2-carboxylate. With a topological polar surface area (TPSA) of 35.53 Ų, Butyl tetrahydrofuran-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl tetrahydrofuran-2-carboxylate has 0 hydrogen bond donor(s) and 3 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 Butyl tetrahydrofuran-2-carboxylate?
The CAS number of Butyl tetrahydrofuran-2-carboxylate is 83867-83-8.
What is the molecular formula of Butyl tetrahydrofuran-2-carboxylate?
The molecular formula of Butyl tetrahydrofuran-2-carboxylate is C9H16O3.
What is the molecular weight of Butyl tetrahydrofuran-2-carboxylate?
The molecular weight of Butyl tetrahydrofuran-2-carboxylate is 172.11 g/mol.
Where can I buy Butyl tetrahydrofuran-2-carboxylate?
You can request a quote for Butyl tetrahydrofuran-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl tetrahydrofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Butyl tetrahydrofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.