Einecs 216-892-1
TL;DR: Einecs 216-892-1 (CAS 1692-75-7) is a chemical compound with molecular formula C24H33FO6 and molecular weight 436.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(6S,8R,9S,10R,13S,14S,16R,17R)-6-fluoro-17-hydroxy-10,13,16-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-hydroxy-4-oxobutanoic acid
Also Known As: EINECS 216-892-1, 6alpha-Fluoro-17,21-dihydroxy-16alpha-methylpregn-4-ene-3,20-dione21-acetate, 4-[(6S,8R,9S,10R,13S,14S,16R,17R)-6-fluoro-17-hydroxy-10,13,16-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-hydroxy-4-oxobutanoic acid
| Molecular Formula | C24H33FO6 |
|---|---|
| Molecular Weight | 436.23 g/mol |
| LogP | 2.8481 |
| Topological Polar Surface Area | 111.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.2261 |
| Heavy Atoms | 31 |
| Complexity | 853.00757 |
Chemical Identifiers
| CAS Number | 1692-75-7 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)CC[C@@]4([C@H]3CC[C@@]2([C@]1(C(=O)C(CC(=O)O)O)O)C)C)F |
Product Overview
Einecs 216-892-1 (CAS 1692-75-7), with molecular formula C24H33FO6 and molecular weight 436.23 g/mol. IUPAC: 4-[(6S,8R,9S,10R,13S,14S,16R,17R)-6-fluoro-17-hydroxy-10,13,16-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-hydroxy-4-oxobutanoic acid.
Chemical Property Profile of Einecs 216-892-1
Property Insights of Einecs 216-892-1
The XLogP value of 2.8481 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 216-892-1. The TPSA of 111.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 216-892-1. Following Lipinski's Rule of Five, Einecs 216-892-1 has 3 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 Einecs 216-892-1?
The CAS number of Einecs 216-892-1 is 1692-75-7.
What is the molecular formula of Einecs 216-892-1?
The molecular formula of Einecs 216-892-1 is C24H33FO6.
What is the molecular weight of Einecs 216-892-1?
The molecular weight of Einecs 216-892-1 is 436.23 g/mol.
Where can I buy Einecs 216-892-1?
You can request a quote for Einecs 216-892-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 216-892-1?
Yes, KEHONG BIO provides custom synthesis services for Einecs 216-892-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.