碳酸二丁酯
TL;DR: 碳酸二丁酯 (CAS 542-52-9) is a chemical compound with molecular formula C9H18O3 and molecular weight 174.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
碳酸二丁酯
dibutyl carbonate
Also Known As: Dibutyl carbonate, n-Butyl carbonate, Dibutylcarbonate, Carbonic acid, dibutyl ester, Di-n-butyl carbonate
| Molecular Formula | C9H18O3 |
|---|---|
| Molecular Weight | 174.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 174.1256 |
| Heavy Atoms | 12 |
| Complexity | 100.0 |
Chemical Identifiers
| CAS Number | 542-52-9 |
|---|---|
| SMILES | CCCCOC(=O)OCCCC |
| InChIKey | QLVWOKQMDLQXNN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
碳酸二丁酯 (CAS 542-52-9), with molecular formula C9H18O3 and molecular weight 174.13 g/mol. IUPAC: dibutyl carbonate.
Chemical Property Profile of 碳酸二丁酯
Property Insights of 碳酸二丁酯
The XLogP value of 3.0 indicates that 碳酸二丁酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 碳酸二丁酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 碳酸二丁酯 has 0 hydrogen bond donor(s) and 3 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 碳酸二丁酯?
The CAS number of 碳酸二丁酯 is 542-52-9.
What is the molecular formula of 碳酸二丁酯?
The molecular formula of 碳酸二丁酯 is C9H18O3.
What is the molecular weight of 碳酸二丁酯?
The molecular weight of 碳酸二丁酯 is 174.13 g/mol.
Where can I buy 碳酸二丁酯?
You can request a quote for 碳酸二丁酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 碳酸二丁酯?
Yes, KEHONG BIO provides custom synthesis services for 碳酸二丁酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.