1,4-丁二醇二乙酸酯
TL;DR: 1,4-丁二醇二乙酸酯 (CAS 15910-11-9) is a chemical compound with molecular formula C8H10O4 and molecular weight 170.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-丁二醇二乙酸酯
4-acetyloxybuta-1,3-dienyl acetate
Also Known As: butadiene-1 ,4-diol diacetate, trans,trans-1,4-Diacetoxy-1,3-butadiene, 4-acetyloxybuta-1,3-dienyl acetate, acetic acid,buta-1,3-diene-1,4-diol, 4-(ACETYLOXY)BUTA-1,3-DIEN-1-YL ACETATE
| Molecular Formula | C8H10O4 |
|---|---|
| Molecular Weight | 170.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 170.0579 |
| Heavy Atoms | 12 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 15910-11-9 |
|---|---|
| SMILES | CC(=O)OC=CC=COC(=O)C |
| InChIKey | XBRCQTOOSIDDOJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-丁二醇二乙酸酯 (CAS 15910-11-9), with molecular formula C8H10O4 and molecular weight 170.06 g/mol. IUPAC: 4-acetyloxybuta-1,3-dienyl acetate.
Chemical Property Profile of 1,4-丁二醇二乙酸酯
Property Insights of 1,4-丁二醇二乙酸酯
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-丁二醇二乙酸酯. With a topological polar surface area (TPSA) of 52.6 Ų, 1,4-丁二醇二乙酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-丁二醇二乙酸酯 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 1,4-丁二醇二乙酸酯?
The CAS number of 1,4-丁二醇二乙酸酯 is 15910-11-9.
What is the molecular formula of 1,4-丁二醇二乙酸酯?
The molecular formula of 1,4-丁二醇二乙酸酯 is C8H10O4.
What is the molecular weight of 1,4-丁二醇二乙酸酯?
The molecular weight of 1,4-丁二醇二乙酸酯 is 170.06 g/mol.
Where can I buy 1,4-丁二醇二乙酸酯?
You can request a quote for 1,4-丁二醇二乙酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-丁二醇二乙酸酯?
Yes, KEHONG BIO provides custom synthesis services for 1,4-丁二醇二乙酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.