EINECS 262-487-8
TL;DR: EINECS 262-487-8 (CAS 60864-47-3) is a chemical compound with molecular formula C26H32F2O9 and molecular weight 526.20 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)-17-(carboxymethyl)-6,9-difluoro-11,15-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-3-hydroxy-4-oxobutanoic acid
Also Known As: EINECS 262-487-8, 17-(3-Carboxy-2-hydroxypropanoyl)-6,9-difluoro-11,15-dihydroxy-16-methyl-3-oxopregna-1,4-dien-21-oic acid, 4-[(2S,3aS,3bS,5R,9aS,10S,11aS)-1-(Carboxymethyl)-5,9b-difluoro-3,10-dihydroxy-2,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,7,9a,9b,10,11,11a-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl]-3-hydroxy-4-oxobutanoic acid, 4-[(6R,8S,10S,11S,13S,14S,16S)-17-(carboxymethyl)-6,9-difluoro-11,15-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-3-hydroxy-4-oxobutanoic acid
| Molecular Formula | C26H32F2O9 |
|---|---|
| Molecular Weight | 526.20 g/mol |
| LogP | 1.3878 |
| Topological Polar Surface Area | 169.43 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 526.2014 |
| Heavy Atoms | 37 |
| Complexity | 1119.3265 |
Chemical Identifiers
| CAS Number | 60864-47-3 |
|---|---|
| SMILES | C[C@@H]1C([C@H]2[C@@H]3C[C@H](C4=CC(=O)C=C[C@@]4(C3([C@H](C[C@@]2(C1(CC(=O)O)C(=O)C(CC(=O)O)O)C)O)F)C)F)O |
Product Overview
EINECS 262-487-8 (CAS 60864-47-3), with molecular formula C26H32F2O9 and molecular weight 526.20 g/mol. IUPAC: 4-[(6R,8S,10S,11S,13S,14S,16S)-17-(carboxymethyl)-6,9-difluoro-11,15-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-3-hydroxy-4-oxobutanoic acid.
Chemical Property Profile of EINECS 262-487-8
Property Insights of EINECS 262-487-8
The XLogP value of 1.3878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 262-487-8. The TPSA of 169.43 Ų indicates high polarity, suggesting EINECS 262-487-8 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 262-487-8 has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 262-487-8?
The CAS number of EINECS 262-487-8 is 60864-47-3.
What is the molecular formula of EINECS 262-487-8?
The molecular formula of EINECS 262-487-8 is C26H32F2O9.
What is the molecular weight of EINECS 262-487-8?
The molecular weight of EINECS 262-487-8 is 526.20 g/mol.
Where can I buy EINECS 262-487-8?
You can request a quote for EINECS 262-487-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 262-487-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 262-487-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.