1,2-乙二醇二丁酸酯
TL;DR: 1,2-乙二醇二丁酸酯 (CAS 106352-70-9) is a chemical compound with molecular formula CCCC(=O)OCCOC(=O)CCC and molecular weight 202.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-乙二醇二丁酸酯
2-butanoyloxyethyl butanoate
Also Known As: Ethylene glycol di-N-butyrate, Ethylene Glycol Dibutyrate, Glycol Dibutyrate, 2-butanoyloxyethyl butanoate, Ethylenedibutyrate
| Molecular Formula | CCCC(=O)OCCOC(=O)CCC |
|---|---|
| Molecular Weight | 202.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 202.12051 |
| Heavy Atoms | 14 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 106352-70-9 |
|---|---|
| SMILES | CCCC(=O)OCCOC(=O)CCC |
| InChIKey | SFTRWCBAYKQWCS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-乙二醇二丁酸酯 (CAS 106352-70-9), with molecular formula CCCC(=O)OCCOC(=O)CCC and molecular weight 202.12 g/mol. IUPAC: 2-butanoyloxyethyl butanoate.
Chemical Property Profile of 1,2-乙二醇二丁酸酯
Property Insights of 1,2-乙二醇二丁酸酯
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-乙二醇二丁酸酯. With a topological polar surface area (TPSA) of 52.6 Ų, 1,2-乙二醇二丁酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-乙二醇二丁酸酯 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 1,2-乙二醇二丁酸酯?
The CAS number of 1,2-乙二醇二丁酸酯 is 106352-70-9.
What is the molecular formula of 1,2-乙二醇二丁酸酯?
The molecular formula of 1,2-乙二醇二丁酸酯 is CCCC(=O)OCCOC(=O)CCC.
What is the molecular weight of 1,2-乙二醇二丁酸酯?
The molecular weight of 1,2-乙二醇二丁酸酯 is 202.12 g/mol.
Where can I buy 1,2-乙二醇二丁酸酯?
You can request a quote for 1,2-乙二醇二丁酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-乙二醇二丁酸酯?
Yes, KEHONG BIO provides custom synthesis services for 1,2-乙二醇二丁酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.