Einecs 245-956-1
TL;DR: Einecs 245-956-1 (CAS 23961-95-7) is a chemical compound with molecular formula C22H27FO5 and molecular weight 390.18427 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-fluoro-14-hydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one
Also Known As: 8-fluoro-14-hydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one, 9beta,11beta-Epoxy-6alpha-fluoro-17,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione, 6-Fluoro-17,21-dihydroxy-16-methyl-9,11-epoxypregna-1,4-diene-3,20-dione, Pregna-1,4-diene-3,20-dione,9,11-epoxy-6-fluoro-17,21-dihydroxy-16-methyl-, (6a,9b,11b,16a)-, EINECS 245-956-1
Technical Specifications
| Molecular Formula | C22H27FO5 |
| Molecular Weight | 390.18427 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 87.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 390.18427 Da |
| Heavy Atoms | 28 |
| Complexity | 850.0 |
| SMILES | CC1CC2C3CC(C4=CC(=O)C=CC4(C35C(O5)CC2(C1(C(=O)CO)O)C)C)F |
| InChIKey | NMNNKCZINHXRCS-UHFFFAOYSA-N |
Chemical Property Profile of Einecs 245-956-1
Property Insights of Einecs 245-956-1
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 245-956-1. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 245-956-1. Following Lipinski's Rule of Five, Einecs 245-956-1 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Einecs 245-956-1?
The CAS number of Einecs 245-956-1 is 23961-95-7.
What is the molecular formula of Einecs 245-956-1?
The molecular formula of Einecs 245-956-1 is C22H27FO5.
What is the molecular weight of Einecs 245-956-1?
The molecular weight of Einecs 245-956-1 is 390.18427 g/mol.
Where can I buy Einecs 245-956-1?
You can request a quote for Einecs 245-956-1 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Einecs 245-956-1?
Yes, CoreyChem provides custom synthesis services for Einecs 245-956-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.