2,3,3a,6,7,7a-Hexahydro-5',7a-dimethyl-4-hydroxy-indene-(1R)-1'-pentanoic Acid Methyl Ester 4-O-Trifluoromethanesulfonate
TL;DR: 2,3,3a,6,7,7a-Hexahydro-5',7a-dimethyl-4-hydroxy-indene-(1R)-1'-pentanoic Acid Methyl Ester 4-O-Trifluoromethanesulfonate (CAS 145372-34-5) is a chemical compound with molecular formula C18H27F3O5S and molecular weight 412.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (5R)-5-[(1R,3aR,7aR)-7a-methyl-4-(trifluoromethylsulfonyloxy)-1,2,3,3a,6,7-hexahydroinden-1-yl]hexanoate
Also Known As: 2,3,3a,6,7,7a-Hexahydro-5',7a-dimethyl-4-hydroxy-indene-(1R)-1'-pentanoic Acid Methyl Ester 4-O-Trifluoromethanesulfonate
| Molecular Formula | C18H27F3O5S |
|---|---|
| Molecular Weight | 412.15 g/mol |
| LogP | 4.5422 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.15314 |
| Heavy Atoms | 27 |
| Complexity | 685.6009 |
Chemical Identifiers
| CAS Number | 145372-34-5 |
|---|---|
| SMILES | C[C@H](CCCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CCC=C2OS(=O)(=O)C(F)(F)F)C |
Product Overview
2,3,3a,6,7,7a-Hexahydro-5',7a-dimethyl-4-hydroxy-indene-(1R)-1'-pentanoic Acid Methyl Ester 4-O-Trifluoromethanesulfonate (CAS 145372-34-5), with molecular formula C18H27F3O5S and molecular weight 412.15 g/mol. IUPAC: methyl (5R)-5-[(1R,3aR,7aR)-7a-methyl-4-(trifluoromethylsulfonyloxy)-1,2,3,3a,6,7-hexahydroinden-1-yl]hexanoate.
Chemical Property Profile of 2,3,3a,6,7,7a-Hexahydro-5',7a-dimethyl-4-hydroxy-indene-(1R)-1'-pentanoic Acid Methyl Ester 4-O-Trifluoromethanesulfonate
Property Insights of 2,3,3a,6,7,7a-Hexahydro-5',7a-dimethyl-4-hydroxy-indene-(1R)-1'-pentanoic Acid Methyl Ester 4-O-Trifluoromethanesulfonate
The XLogP value of 4.5422 indicates that 2,3,3a,6,7,7a-Hexahydro-5',7a-dimethyl-4-hydroxy-indene-(1R)-1'-pentanoic Acid Methyl Ester 4-O-Trifluoromethanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,3a,6,7,7a-Hexahydro-5',7a-dimethyl-4-hydroxy-indene-(1R)-1'-pentanoic Acid Methyl Ester 4-O-Trifluoromethanesulfonate. Following Lipinski's Rule of Five, 2,3,3a,6,7,7a-Hexahydro-5',7a-dimethyl-4-hydroxy-indene-(1R)-1'-pentanoic Acid Methyl Ester 4-O-Trifluoromethanesulfonate has 0 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 2,3,3a,6,7,7a-Hexahydro-5',7a-dimethyl-4-hydroxy-indene-(1R)-1'-pentanoic Acid Methyl Ester 4-O-Trifluoromethanesulfonate?
The CAS number of 2,3,3a,6,7,7a-Hexahydro-5',7a-dimethyl-4-hydroxy-indene-(1R)-1'-pentanoic Acid Methyl Ester 4-O-Trifluoromethanesulfonate is 145372-34-5.
What is the molecular formula of 2,3,3a,6,7,7a-Hexahydro-5',7a-dimethyl-4-hydroxy-indene-(1R)-1'-pentanoic Acid Methyl Ester 4-O-Trifluoromethanesulfonate?
The molecular formula of 2,3,3a,6,7,7a-Hexahydro-5',7a-dimethyl-4-hydroxy-indene-(1R)-1'-pentanoic Acid Methyl Ester 4-O-Trifluoromethanesulfonate is C18H27F3O5S.
What is the molecular weight of 2,3,3a,6,7,7a-Hexahydro-5',7a-dimethyl-4-hydroxy-indene-(1R)-1'-pentanoic Acid Methyl Ester 4-O-Trifluoromethanesulfonate?
The molecular weight of 2,3,3a,6,7,7a-Hexahydro-5',7a-dimethyl-4-hydroxy-indene-(1R)-1'-pentanoic Acid Methyl Ester 4-O-Trifluoromethanesulfonate is 412.15 g/mol.
Where can I buy 2,3,3a,6,7,7a-Hexahydro-5',7a-dimethyl-4-hydroxy-indene-(1R)-1'-pentanoic Acid Methyl Ester 4-O-Trifluoromethanesulfonate?
You can request a quote for 2,3,3a,6,7,7a-Hexahydro-5',7a-dimethyl-4-hydroxy-indene-(1R)-1'-pentanoic Acid Methyl Ester 4-O-Trifluoromethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,3a,6,7,7a-Hexahydro-5',7a-dimethyl-4-hydroxy-indene-(1R)-1'-pentanoic Acid Methyl Ester 4-O-Trifluoromethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,3,3a,6,7,7a-Hexahydro-5',7a-dimethyl-4-hydroxy-indene-(1R)-1'-pentanoic Acid Methyl Ester 4-O-Trifluoromethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.