丁酸苄酯
TL;DR: 丁酸苄酯 (CAS 103-37-7) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁酸苄酯
benzyl butanoate
Also Known As: Benzyl butyrate, Benzyl butanoate, Benzyl n-butyrate, Phenylmethyl butanoate, Benzyl n-butanoate
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 148.0 |
| Melting Point | 21.00 °C. @ 760.00 mm Hg |
| Boiling Point | 238.00 to 240.00 °C. @ 760.00 mm Hg |
| Density | 1.005-1.012 |
| Solubility | insoluble in water, glycols, glycerol; soluble in organic solvents, oils |
| Refractive Index | 1.490-1.500 |
Chemical Identifiers
| CAS Number | 103-37-7 |
|---|---|
| SMILES | CCCC(=O)OCC1=CC=CC=C1 |
| InChIKey | VONGZNXBKCOUHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁酸苄酯 (CAS 103-37-7), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: benzyl butanoate.
Chemical Property Profile of 丁酸苄酯
Property Insights of 丁酸苄酯
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁酸苄酯. With a topological polar surface area (TPSA) of 26.3 Ų, 丁酸苄酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁酸苄酯 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 丁酸苄酯?
The CAS number of 丁酸苄酯 is 103-37-7.
What is the molecular formula of 丁酸苄酯?
The molecular formula of 丁酸苄酯 is C11H14O2.
What is the molecular weight of 丁酸苄酯?
The molecular weight of 丁酸苄酯 is 178.10 g/mol.
Where can I buy 丁酸苄酯?
You can request a quote for 丁酸苄酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁酸苄酯?
Yes, KEHONG BIO provides custom synthesis services for 丁酸苄酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.