2-甲基丙酸3-甲氧基丁酯
TL;DR: 2-甲基丙酸3-甲氧基丁酯 (CAS 72785-13-8) is a chemical compound with molecular formula C9H18O3 and molecular weight 174.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基丙酸3-甲氧基丁酯
3-methoxybutyl 2-methylpropanoate
Also Known As: 3-Methoxybutyl isobutyrate, 3-methoxybutyl 2-methylpropanoate, 3-methoxybutylisobutyrate, Propanoic acid, 3-methoxybutyl ester, Propanoic acid, 2-methyl-, 3-methoxybutyl ester
| Molecular Formula | C9H18O3 |
|---|---|
| Molecular Weight | 174.13 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 174.1256 |
| Heavy Atoms | 12 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 72785-13-8 |
|---|---|
| SMILES | CC(C)C(=O)OCCC(C)OC |
| InChIKey | IBGVCUQZCCGGCH-UHFFFAOYSA-N |
Product Overview
2-甲基丙酸3-甲氧基丁酯 (CAS 72785-13-8), with molecular formula C9H18O3 and molecular weight 174.13 g/mol. IUPAC: 3-methoxybutyl 2-methylpropanoate.
Chemical Property Profile of 2-甲基丙酸3-甲氧基丁酯
Property Insights of 2-甲基丙酸3-甲氧基丁酯
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基丙酸3-甲氧基丁酯. With a topological polar surface area (TPSA) of 35.5 Ų, 2-甲基丙酸3-甲氧基丁酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基丙酸3-甲氧基丁酯 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 2-甲基丙酸3-甲氧基丁酯?
The CAS number of 2-甲基丙酸3-甲氧基丁酯 is 72785-13-8.
What is the molecular formula of 2-甲基丙酸3-甲氧基丁酯?
The molecular formula of 2-甲基丙酸3-甲氧基丁酯 is C9H18O3.
What is the molecular weight of 2-甲基丙酸3-甲氧基丁酯?
The molecular weight of 2-甲基丙酸3-甲氧基丁酯 is 174.13 g/mol.
Where can I buy 2-甲基丙酸3-甲氧基丁酯?
You can request a quote for 2-甲基丙酸3-甲氧基丁酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基丙酸3-甲氧基丁酯?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基丙酸3-甲氧基丁酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.