EINECS 217-582-9
TL;DR: EINECS 217-582-9 (CAS 1893-91-0) is a chemical compound with molecular formula C24H35FO6 and molecular weight 438.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(5R,6R,8R,9S,10R,13S,14S,16R)-6-fluoro-5,17-dihydroxy-10,13,16-trimethyl-3-oxo-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: KST-1A2412, 6beta-Fluoro-5alpha,17,21-trihydroxy-16alpha-methylpregnane-3,20-dione 21-acetate, [2-[(5R,6R,8R,9S,10R,13S,14S,16R)-6-fluoro-5,17-dihydroxy-10,13,16-trimethyl-3-oxo-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate, (5, A,6
| Molecular Formula | C24H35FO6 |
|---|---|
| Molecular Weight | 438.24 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.24176 |
| Heavy Atoms | 31 |
| Complexity | 814.0 |
Chemical Identifiers
| CAS Number | 1893-91-0 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3C[C@H]([C@]4(CC(=O)CC[C@@]4([C@H]3CC[C@@]2(C1(C(=O)COC(=O)C)O)C)C)O)F |
| InChIKey | XAEKFNIGPGAZHV-PNJMATSPSA-N |
Product Overview
EINECS 217-582-9 (CAS 1893-91-0), with molecular formula C24H35FO6 and molecular weight 438.24 g/mol. IUPAC: [2-[(5R,6R,8R,9S,10R,13S,14S,16R)-6-fluoro-5,17-dihydroxy-10,13,16-trimethyl-3-oxo-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
Chemical Property Profile of EINECS 217-582-9
Property Insights of EINECS 217-582-9
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 217-582-9. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 217-582-9. Following Lipinski's Rule of Five, EINECS 217-582-9 has 2 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 217-582-9?
The CAS number of EINECS 217-582-9 is 1893-91-0.
What is the molecular formula of EINECS 217-582-9?
The molecular formula of EINECS 217-582-9 is C24H35FO6.
What is the molecular weight of EINECS 217-582-9?
The molecular weight of EINECS 217-582-9 is 438.24 g/mol.
Where can I buy EINECS 217-582-9?
You can request a quote for EINECS 217-582-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 217-582-9?
Yes, KEHONG BIO provides custom synthesis services for EINECS 217-582-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.