丁二酸2-乙酰基-1,4-二乙酯
TL;DR: 丁二酸2-乙酰基-1,4-二乙酯 (CAS 1115-30-6) is a chemical compound with molecular formula C10H16O5 and molecular weight 216.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁二酸2-乙酰基-1,4-二乙酯
diethyl 2-acetylbutanedioate
Also Known As: Diethyl 2-acetylsuccinate, Diethyl acetylsuccinate, Diethyl acetosuccinate, Ethyl acetylsuccinate, diethyl 2-acetylbutanedioate
| Molecular Formula | C10H16O5 |
|---|---|
| Molecular Weight | 216.10 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 216.09978 |
| Heavy Atoms | 15 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 1115-30-6 |
|---|---|
| SMILES | CCOC(=O)CC(C(=O)C)C(=O)OCC |
| InChIKey | DVSDDICSXBCMQJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁二酸2-乙酰基-1,4-二乙酯 (CAS 1115-30-6), with molecular formula C10H16O5 and molecular weight 216.10 g/mol. IUPAC: diethyl 2-acetylbutanedioate.
Chemical Property Profile of 丁二酸2-乙酰基-1,4-二乙酯
Property Insights of 丁二酸2-乙酰基-1,4-二乙酯
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁二酸2-乙酰基-1,4-二乙酯. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 丁二酸2-乙酰基-1,4-二乙酯. Following Lipinski's Rule of Five, 丁二酸2-乙酰基-1,4-二乙酯 has 0 hydrogen bond donor(s) and 5 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2-乙酰基-1,4-二乙酯?
The CAS number of 丁二酸2-乙酰基-1,4-二乙酯 is 1115-30-6.
What is the molecular formula of 丁二酸2-乙酰基-1,4-二乙酯?
The molecular formula of 丁二酸2-乙酰基-1,4-二乙酯 is C10H16O5.
What is the molecular weight of 丁二酸2-乙酰基-1,4-二乙酯?
The molecular weight of 丁二酸2-乙酰基-1,4-二乙酯 is 216.10 g/mol.
Where can I buy 丁二酸2-乙酰基-1,4-二乙酯?
You can request a quote for 丁二酸2-乙酰基-1,4-二乙酯 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2-乙酰基-1,4-二乙酯?
Yes, KEHONG BIO provides custom synthesis services for 丁二酸2-乙酰基-1,4-二乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.