EINECS 260-683-8
TL;DR: EINECS 260-683-8 (CAS 57331-14-3) is a chemical compound with molecular formula C21H27F2O8P and molecular weight 476.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(6S,8S,9R,10S,11S,13S,14S,17R)-6,9-difluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] dihydrogen phosphate
Also Known As: 6alpha,9-Difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-(dihydrogen phosphate), [2-[(6S,8S,9R,10S,11S,13S,14S,17R)-6,9-difluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] dihydrogen phosphate, 6,9-Difluoro-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate, 6alpha,9-Difluoro-11beta,17-dihydroxy-21-(phosphonooxy)pregna-1,4-diene-3,20-dione, [2-[(6S,8S,9R,10S,11S,13S,14S,17R)-6,9-difluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] dihydrogenphosphate
| Molecular Formula | C21H27F2O8P |
|---|---|
| Molecular Weight | 476.14 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 476.14117 |
| Heavy Atoms | 32 |
| Complexity | 977.0 |
Chemical Identifiers
| CAS Number | 57331-14-3 |
|---|---|
| SMILES | C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1CC[C@@]2(C(=O)COP(=O)(O)O)O)C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O |
| InChIKey | PTFJOVUOXOHPIW-RBKZJGKHSA-N |
Product Overview
EINECS 260-683-8 (CAS 57331-14-3), with molecular formula C21H27F2O8P and molecular weight 476.14 g/mol. IUPAC: [2-[(6S,8S,9R,10S,11S,13S,14S,17R)-6,9-difluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] dihydrogen phosphate.
Chemical Property Profile of EINECS 260-683-8
Property Insights of EINECS 260-683-8
The XLogP value of -0.2 indicates that EINECS 260-683-8 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 141.0 Ų indicates high polarity, suggesting EINECS 260-683-8 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 260-683-8 has 4 hydrogen bond donor(s) and 10 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 260-683-8?
The CAS number of EINECS 260-683-8 is 57331-14-3.
What is the molecular formula of EINECS 260-683-8?
The molecular formula of EINECS 260-683-8 is C21H27F2O8P.
What is the molecular weight of EINECS 260-683-8?
The molecular weight of EINECS 260-683-8 is 476.14 g/mol.
Where can I buy EINECS 260-683-8?
You can request a quote for EINECS 260-683-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 260-683-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 260-683-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.