1H-Cyclopent(f)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-3-methyl-, diacetate (ester), trifluoroacetate
TL;DR: 1H-Cyclopent(f)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-3-methyl-, diacetate (ester), trifluoroacetate (CAS 57638-92-3) is a chemical compound with molecular formula C19H22F3NO6 and molecular weight 417.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-acetyloxy-3-methyl-1,2,4,7,8,9-hexahydrocyclopenta[f]isoquinolin-6-yl) acetate;2,2,2-trifluoroacetic acid
Also Known As: 1H-Cyclopent(f)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-3-methyl-, diacetate (ester), trifluoroacetate, 7,8-Diacetoxy-N-methyl-1,2,3,4-tetrahydro-cyclopentano(f)isoquinoline trifluoroacetate, (5-acetyloxy-3-methyl-1,2,4,7,8,9-hexahydrocyclopenta[f]isoquinolin-6-yl) acetate; 2,2,2-trifluoroacetic acid, Acetic acid, trifluoro-, compd. with 2,3,4,7,8,9-hexahydro-3-methyl-1H-cyclopent[f]isoquinoline-5,6-diol diacetate (1:1), Trifluoroacetic acid--3-methyl-2,3,4,7,8,9-hexahydro-1H-cyclopenta[f]isoquinoline-5,6-diyl diacetate (1/1)
| Molecular Formula | C19H22F3NO6 |
|---|---|
| Molecular Weight | 417.14 g/mol |
| LogP | 2.6471 |
| Topological Polar Surface Area | 93.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 417.13992 |
| Heavy Atoms | 29 |
| Complexity | 834.459 |
Chemical Identifiers
| CAS Number | 57638-92-3 |
|---|---|
| SMILES | CC(=O)OC1=C(C2=C(CCN(C2)C)C3=C1CCC3)OC(=O)C.C(=O)(C(F)(F)F)O |
Product Overview
1H-Cyclopent(f)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-3-methyl-, diacetate (ester), trifluoroacetate (CAS 57638-92-3), with molecular formula C19H22F3NO6 and molecular weight 417.14 g/mol. IUPAC: (5-acetyloxy-3-methyl-1,2,4,7,8,9-hexahydrocyclopenta[f]isoquinolin-6-yl) acetate;2,2,2-trifluoroacetic acid.
Chemical Property Profile of 1H-Cyclopent(f)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-3-methyl-, diacetate (ester), trifluoroacetate
Property Insights of 1H-Cyclopent(f)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-3-methyl-, diacetate (ester), trifluoroacetate
The XLogP value of 2.6471 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Cyclopent(f)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-3-methyl-, diacetate (ester), trifluoroacetate. The TPSA of 93.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Cyclopent(f)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-3-methyl-, diacetate (ester), trifluoroacetate. Following Lipinski's Rule of Five, 1H-Cyclopent(f)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-3-methyl-, diacetate (ester), trifluoroacetate has 1 hydrogen bond donor(s) and 6 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 1H-Cyclopent(f)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-3-methyl-, diacetate (ester), trifluoroacetate?
The CAS number of 1H-Cyclopent(f)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-3-methyl-, diacetate (ester), trifluoroacetate is 57638-92-3.
What is the molecular formula of 1H-Cyclopent(f)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-3-methyl-, diacetate (ester), trifluoroacetate?
The molecular formula of 1H-Cyclopent(f)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-3-methyl-, diacetate (ester), trifluoroacetate is C19H22F3NO6.
What is the molecular weight of 1H-Cyclopent(f)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-3-methyl-, diacetate (ester), trifluoroacetate?
The molecular weight of 1H-Cyclopent(f)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-3-methyl-, diacetate (ester), trifluoroacetate is 417.14 g/mol.
Where can I buy 1H-Cyclopent(f)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-3-methyl-, diacetate (ester), trifluoroacetate?
You can request a quote for 1H-Cyclopent(f)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-3-methyl-, diacetate (ester), trifluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Cyclopent(f)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-3-methyl-, diacetate (ester), trifluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for 1H-Cyclopent(f)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-3-methyl-, diacetate (ester), trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.