Einecs 218-369-3
TL;DR: Einecs 218-369-3 (CAS 2135-16-2) is a chemical compound with molecular formula C27H35FO6 and molecular weight 474.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1S,2S,8S,10S,11S,13R,14R,15S,17S)-8-fluoro-14-hydroxy-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-2-oxoethyl] 2,2-dimethylpropanoate
Also Known As: KST-1A2767, (6, A,9, A,11, A,16
| Molecular Formula | C27H35FO6 |
|---|---|
| Molecular Weight | 474.24 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.24176 |
| Heavy Atoms | 34 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 2135-16-2 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]35[C@@H](O5)C[C@@]2([C@]1(C(=O)COC(=O)C(C)(C)C)O)C)C)F |
| InChIKey | CPGKQIUXETTXGT-AGQVYWRLSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Einecs 218-369-3 (CAS 2135-16-2), with molecular formula C27H35FO6 and molecular weight 474.24 g/mol. IUPAC: [2-[(1S,2S,8S,10S,11S,13R,14R,15S,17S)-8-fluoro-14-hydroxy-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-2-oxoethyl] 2,2-dimethylpropanoate.
Chemical Property Profile of Einecs 218-369-3
Property Insights of Einecs 218-369-3
The XLogP value of 3.3 indicates that Einecs 218-369-3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 218-369-3. Following Lipinski's Rule of Five, Einecs 218-369-3 has 1 hydrogen bond donor(s) and 7 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 Einecs 218-369-3?
The CAS number of Einecs 218-369-3 is 2135-16-2.
What is the molecular formula of Einecs 218-369-3?
The molecular formula of Einecs 218-369-3 is C27H35FO6.
What is the molecular weight of Einecs 218-369-3?
The molecular weight of Einecs 218-369-3 is 474.24 g/mol.
Where can I buy Einecs 218-369-3?
You can request a quote for Einecs 218-369-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 218-369-3?
Yes, KEHONG BIO provides custom synthesis services for Einecs 218-369-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.