丁二酸1-(2-甲基丙基)酯
TL;DR: 丁二酸1-(2-甲基丙基)酯 (CAS 20279-40-7) is a chemical compound with molecular formula C8H14O4 and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁二酸1-(2-甲基丙基)酯
4-(2-methylpropoxy)-4-oxobutanoic acid
Also Known As: Isobutyl succinate, 4-(2-methylpropoxy)-4-oxobutanoic acid, Butanedioicacidhydrogen1- ester, bis(2-methylpropyl) butanedioate, Butanedioic acid, mono(2-methylpropyl) ester
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 20279-40-7 |
|---|---|
| SMILES | CC(C)COC(=O)CCC(=O)O |
| InChIKey | RGTLSFNPTLNPDZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁二酸1-(2-甲基丙基)酯 (CAS 20279-40-7), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: 4-(2-methylpropoxy)-4-oxobutanoic acid.
Chemical Property Profile of 丁二酸1-(2-甲基丙基)酯
Property Insights of 丁二酸1-(2-甲基丙基)酯
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁二酸1-(2-甲基丙基)酯. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 丁二酸1-(2-甲基丙基)酯. Following Lipinski's Rule of Five, 丁二酸1-(2-甲基丙基)酯 has 1 hydrogen bond donor(s) and 4 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 丁二酸1-(2-甲基丙基)酯?
The CAS number of 丁二酸1-(2-甲基丙基)酯 is 20279-40-7.
What is the molecular formula of 丁二酸1-(2-甲基丙基)酯?
The molecular formula of 丁二酸1-(2-甲基丙基)酯 is C8H14O4.
What is the molecular weight of 丁二酸1-(2-甲基丙基)酯?
The molecular weight of 丁二酸1-(2-甲基丙基)酯 is 174.09 g/mol.
Where can I buy 丁二酸1-(2-甲基丙基)酯?
You can request a quote for 丁二酸1-(2-甲基丙基)酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁二酸1-(2-甲基丙基)酯?
Yes, KEHONG BIO provides custom synthesis services for 丁二酸1-(2-甲基丙基)酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.