EINECS 262-489-9
TL;DR: EINECS 262-489-9 (CAS 60864-49-5) is a chemical compound with molecular formula C25H30F2O10 and molecular weight 528.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(6R,8S,10S,11S,13S,14S,16S,17S)-16-(carboxymethyl)-6,9-difluoro-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-3-hydroxy-4-oxobutanoic acid
Also Known As: EINECS 262-489-9, 6beta,9-Difluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione 16,21-di(acetate), 6beta,9-difluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione16,21-di, 4-[(6R,8S,10S,11S,13S,14S,16S,17S)-16-(carboxymethyl)-6,9-difluoro-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-3-hydroxy-4-oxobutanoic acid
| Molecular Formula | C25H30F2O10 |
|---|---|
| Molecular Weight | 528.18 g/mol |
| LogP | 0.2567 |
| Topological Polar Surface Area | 189.66 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 528.1807 |
| Heavy Atoms | 37 |
| Complexity | 1136.5062 |
Chemical Identifiers
| CAS Number | 60864-49-5 |
|---|---|
| SMILES | C[C@]12C[C@@H](C3([C@H]([C@@H]1C[C@@]([C@@]2(C(=O)C(CC(=O)O)O)O)(CC(=O)O)O)C[C@H](C4=CC(=O)C=C[C@@]43C)F)F)O |
Product Overview
EINECS 262-489-9 (CAS 60864-49-5), with molecular formula C25H30F2O10 and molecular weight 528.18 g/mol. IUPAC: 4-[(6R,8S,10S,11S,13S,14S,16S,17S)-16-(carboxymethyl)-6,9-difluoro-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-3-hydroxy-4-oxobutanoic acid.
Chemical Property Profile of EINECS 262-489-9
Property Insights of EINECS 262-489-9
The XLogP value of 0.2567 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 262-489-9. The TPSA of 189.66 Ų indicates high polarity, suggesting EINECS 262-489-9 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 262-489-9 has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 262-489-9?
The CAS number of EINECS 262-489-9 is 60864-49-5.
What is the molecular formula of EINECS 262-489-9?
The molecular formula of EINECS 262-489-9 is C25H30F2O10.
What is the molecular weight of EINECS 262-489-9?
The molecular weight of EINECS 262-489-9 is 528.18 g/mol.
Where can I buy EINECS 262-489-9?
You can request a quote for EINECS 262-489-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 262-489-9?
Yes, KEHONG BIO provides custom synthesis services for EINECS 262-489-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.