曲匹布通
TL;DR: 曲匹布通 (CAS 41826-92-0) is a chemical compound with molecular formula C16H22O6 and molecular weight 310.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
曲匹布通
4-oxo-4-(2,4,5-triethoxyphenyl)butanoic acid
Also Known As: trepibutone, Supacal, Colibil, Trepibutonum, Trepibuton
| Molecular Formula | C16H22O6 |
|---|---|
| Molecular Weight | 310.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 310.14163 |
| Heavy Atoms | 22 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 41826-92-0 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1C(=O)CCC(=O)O)OCC)OCC |
| InChIKey | YPTFHLJNWSJXKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
曲匹布通 (CAS 41826-92-0), with molecular formula C16H22O6 and molecular weight 310.14 g/mol. IUPAC: 4-oxo-4-(2,4,5-triethoxyphenyl)butanoic acid.
Chemical Property Profile of 曲匹布通
Property Insights of 曲匹布通
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 曲匹布通. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 曲匹布通. Following Lipinski's Rule of Five, 曲匹布通 has 1 hydrogen bond donor(s) and 6 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 曲匹布通?
The CAS number of 曲匹布通 is 41826-92-0.
What is the molecular formula of 曲匹布通?
The molecular formula of 曲匹布通 is C16H22O6.
What is the molecular weight of 曲匹布通?
The molecular weight of 曲匹布通 is 310.14 g/mol.
Where can I buy 曲匹布通?
You can request a quote for 曲匹布通 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 曲匹布通?
Yes, KEHONG BIO provides custom synthesis services for 曲匹布通 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.