But-2-enoic acid 2-butoxy-1-methyl-ethyl ester
TL;DR: But-2-enoic acid 2-butoxy-1-methyl-ethyl ester (CAS 135772-03-1) is a chemical compound with molecular formula C11H20O3 and molecular weight 200.14125 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-butoxypropan-2-yl but-2-enoate
Also Known As: 1-butoxypropan-2-yl But-2-enoate, BUT-2-ENOIC ACID 2-BUTOXY-1-METHYL-ETHYL ESTER
Technical Specifications
| Molecular Formula | C11H20O3 |
| Molecular Weight | 200.14125 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 200.14125 Da |
| Heavy Atoms | 14 |
| Complexity | 175.0 |
| SMILES | CCCCOCC(C)OC(=O)C=CC |
| InChIKey | NTFWVBVBSKLUNH-UHFFFAOYSA-N |
Chemical Property Profile of But-2-enoic acid 2-butoxy-1-methyl-ethyl ester
Property Insights of But-2-enoic acid 2-butoxy-1-methyl-ethyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for But-2-enoic acid 2-butoxy-1-methyl-ethyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, But-2-enoic acid 2-butoxy-1-methyl-ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, But-2-enoic acid 2-butoxy-1-methyl-ethyl ester 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
What is the CAS number of But-2-enoic acid 2-butoxy-1-methyl-ethyl ester?
The CAS number of But-2-enoic acid 2-butoxy-1-methyl-ethyl ester is 135772-03-1.
What is the molecular formula of But-2-enoic acid 2-butoxy-1-methyl-ethyl ester?
The molecular formula of But-2-enoic acid 2-butoxy-1-methyl-ethyl ester is C11H20O3.
What is the molecular weight of But-2-enoic acid 2-butoxy-1-methyl-ethyl ester?
The molecular weight of But-2-enoic acid 2-butoxy-1-methyl-ethyl ester is 200.14125 g/mol.
Where can I buy But-2-enoic acid 2-butoxy-1-methyl-ethyl ester?
You can request a quote for But-2-enoic acid 2-butoxy-1-methyl-ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for But-2-enoic acid 2-butoxy-1-methyl-ethyl ester?
Yes, CoreyChem provides custom synthesis services for But-2-enoic acid 2-butoxy-1-methyl-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.