乙基琥珀酸二甲酯
TL;DR: 乙基琥珀酸二甲酯 (CAS 14035-95-1) 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.
乙基琥珀酸二甲酯
dimethyl 2-ethylbutanedioate
Also Known As: Dimethyl ethylsuccinate, Dimethyl 2-ethylsuccinate, dimethyl 2-ethylbutanedioate, 1,4-dimethyl 2-ethylbutanedioate, Dimethyl 2-ethylsuccinate #
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 14035-95-1 |
|---|---|
| SMILES | CCC(CC(=O)OC)C(=O)OC |
| InChIKey | RZZLQHQXWZLBCJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙基琥珀酸二甲酯 (CAS 14035-95-1), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: dimethyl 2-ethylbutanedioate.
Chemical Property Profile of 乙基琥珀酸二甲酯
Property Insights of 乙基琥珀酸二甲酯
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙基琥珀酸二甲酯. With a topological polar surface area (TPSA) of 52.6 Ų, 乙基琥珀酸二甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙基琥珀酸二甲酯 has 0 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 乙基琥珀酸二甲酯?
The CAS number of 乙基琥珀酸二甲酯 is 14035-95-1.
What is the molecular formula of 乙基琥珀酸二甲酯?
The molecular formula of 乙基琥珀酸二甲酯 is C8H14O4.
What is the molecular weight of 乙基琥珀酸二甲酯?
The molecular weight of 乙基琥珀酸二甲酯 is 174.09 g/mol.
Where can I buy 乙基琥珀酸二甲酯?
You can request a quote for 乙基琥珀酸二甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙基琥珀酸二甲酯?
Yes, KEHONG BIO provides custom synthesis services for 乙基琥珀酸二甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.