依卡倍特
TL;DR: 依卡倍特 (CAS 33159-27-2) is a chemical compound with molecular formula C20H28O5S and molecular weight 380.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
依卡倍特
(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-6-sulfo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
Also Known As: Ecabet, Ecabetum, ecabet sodium, Ecabet [INN], Gastrom
| Molecular Formula | C20H28O5S |
|---|---|
| Molecular Weight | 380.17 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.16574 |
| Heavy Atoms | 26 |
| Complexity | 666.0 |
| Solubility | 4.26e-03 g/L |
Chemical Identifiers
| CAS Number | 33159-27-2 |
|---|---|
| SMILES | CC(C)C1=C(C=C2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)O)C)S(=O)(=O)O |
| InChIKey | IWCWQNVIUXZOMJ-MISYRCLQSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
依卡倍特 (CAS 33159-27-2), with molecular formula C20H28O5S and molecular weight 380.17 g/mol. IUPAC: (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-6-sulfo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid.
Chemical Property Profile of 依卡倍特
Property Insights of 依卡倍特
The XLogP value of 4.3 indicates that 依卡倍特 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 依卡倍特. Following Lipinski's Rule of Five, 依卡倍特 has 2 hydrogen bond donor(s) and 5 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 依卡倍特?
The CAS number of 依卡倍特 is 33159-27-2.
What is the molecular formula of 依卡倍特?
The molecular formula of 依卡倍特 is C20H28O5S.
What is the molecular weight of 依卡倍特?
The molecular weight of 依卡倍特 is 380.17 g/mol.
Where can I buy 依卡倍特?
You can request a quote for 依卡倍特 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 依卡倍特?
Yes, KEHONG BIO provides custom synthesis services for 依卡倍特 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.