Butan-2-yl 4-propan-2-ylbenzoate
TL;DR: Butan-2-yl 4-propan-2-ylbenzoate (CAS 10432-36-7) is a chemical compound with molecular formula C14H20O2 and molecular weight 220.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl 4-propan-2-ylbenzoate
Also Known As: butan-2-yl 4-(propan-2-yl)benzoate, butan-2-yl 4-propan-2-ylbenzoate
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 10432-36-7 |
|---|---|
| SMILES | CCC(C)OC(=O)C1=CC=C(C=C1)C(C)C |
| InChIKey | XFNNZSVTZWAOKK-UHFFFAOYSA-N |
Product Overview
Butan-2-yl 4-propan-2-ylbenzoate (CAS 10432-36-7), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: butan-2-yl 4-propan-2-ylbenzoate.
Chemical Property Profile of Butan-2-yl 4-propan-2-ylbenzoate
Property Insights of Butan-2-yl 4-propan-2-ylbenzoate
The XLogP value of 4.2 indicates that Butan-2-yl 4-propan-2-ylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Butan-2-yl 4-propan-2-ylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butan-2-yl 4-propan-2-ylbenzoate 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 Butan-2-yl 4-propan-2-ylbenzoate?
The CAS number of Butan-2-yl 4-propan-2-ylbenzoate is 10432-36-7.
What is the molecular formula of Butan-2-yl 4-propan-2-ylbenzoate?
The molecular formula of Butan-2-yl 4-propan-2-ylbenzoate is C14H20O2.
What is the molecular weight of Butan-2-yl 4-propan-2-ylbenzoate?
The molecular weight of Butan-2-yl 4-propan-2-ylbenzoate is 220.15 g/mol.
Where can I buy Butan-2-yl 4-propan-2-ylbenzoate?
You can request a quote for Butan-2-yl 4-propan-2-ylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butan-2-yl 4-propan-2-ylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Butan-2-yl 4-propan-2-ylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.