琥珀酸单异丙酯
TL;DR: 琥珀酸单异丙酯 (CAS 20279-38-3) is a chemical compound with molecular formula C7H12O4 and molecular weight 160.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
琥珀酸单异丙酯
4-oxo-4-propan-2-yloxybutanoic acid
Also Known As: Succinic acid monoisopropyl ester, monoisopropyl succinate, starbld0016684, Succinic acid mono isopropyl ester, 4-ISOPROPOXY-4-OXOBUTANOIC ACID
| Molecular Formula | C7H12O4 |
|---|---|
| Molecular Weight | 160.07 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 160.07356 |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 20279-38-3 |
|---|---|
| SMILES | CC(C)OC(=O)CCC(=O)O |
| InChIKey | RGMSBDCQLRJNSH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
琥珀酸单异丙酯 (CAS 20279-38-3), with molecular formula C7H12O4 and molecular weight 160.07 g/mol. IUPAC: 4-oxo-4-propan-2-yloxybutanoic acid.
Chemical Property Profile of 琥珀酸单异丙酯
Property Insights of 琥珀酸单异丙酯
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 琥珀酸单异丙酯. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 琥珀酸单异丙酯. Following Lipinski's Rule of Five, 琥珀酸单异丙酯 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 琥珀酸单异丙酯?
The CAS number of 琥珀酸单异丙酯 is 20279-38-3.
What is the molecular formula of 琥珀酸单异丙酯?
The molecular formula of 琥珀酸单异丙酯 is C7H12O4.
What is the molecular weight of 琥珀酸单异丙酯?
The molecular weight of 琥珀酸单异丙酯 is 160.07 g/mol.
Where can I buy 琥珀酸单异丙酯?
You can request a quote for 琥珀酸单异丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 琥珀酸单异丙酯?
Yes, KEHONG BIO provides custom synthesis services for 琥珀酸单异丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.