1H-Cyclopent(h)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-2-methyl-, diacetate (ester)
TL;DR: 1H-Cyclopent(h)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-2-methyl-, diacetate (ester) (CAS 59002-06-1) is a chemical compound with molecular formula C17H21NO4 and molecular weight 303.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-acetyloxy-2-methyl-1,3,4,7,8,9-hexahydrocyclopenta[h]isoquinolin-6-yl) acetate
Also Known As: 1H-Cyclopent(h)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-2-methyl-, diacetate (ester), 5,6-Diacetoxy-N-methyl-1,2,3,4-tetrahydro-cyclopentano(h)isoquinoline, 2-Methyl-2,3,4,7,8,9-hexahydro-1H-cyclopent(h)isoquinoline-5,6-diol diacetate (ester), (5-acetyloxy-2-methyl-1,3,4,7,8,9-hexahydrocyclopenta[h]isoquinolin-6-yl) acetate, 1H-Cyclopent[h]isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-2-methyl-, diacetate (ester)
| Molecular Formula | C17H21NO4 |
|---|---|
| Molecular Weight | 303.15 g/mol |
| LogP | 2.0138 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 303.14706 |
| Heavy Atoms | 22 |
| Complexity | 650.7944 |
Chemical Identifiers
| CAS Number | 59002-06-1 |
|---|---|
| SMILES | CC(=O)OC1=C(C2=C(CN(CC2)C)C3=C1CCC3)OC(=O)C |
Product Overview
1H-Cyclopent(h)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-2-methyl-, diacetate (ester) (CAS 59002-06-1), with molecular formula C17H21NO4 and molecular weight 303.15 g/mol. IUPAC: (5-acetyloxy-2-methyl-1,3,4,7,8,9-hexahydrocyclopenta[h]isoquinolin-6-yl) acetate.
Chemical Property Profile of 1H-Cyclopent(h)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-2-methyl-, diacetate (ester)
Property Insights of 1H-Cyclopent(h)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-2-methyl-, diacetate (ester)
The XLogP value of 2.0138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Cyclopent(h)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-2-methyl-, diacetate (ester). With a topological polar surface area (TPSA) of 55.84 Ų, 1H-Cyclopent(h)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-2-methyl-, diacetate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Cyclopent(h)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-2-methyl-, diacetate (ester) 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 1H-Cyclopent(h)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-2-methyl-, diacetate (ester)?
The CAS number of 1H-Cyclopent(h)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-2-methyl-, diacetate (ester) is 59002-06-1.
What is the molecular formula of 1H-Cyclopent(h)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-2-methyl-, diacetate (ester)?
The molecular formula of 1H-Cyclopent(h)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-2-methyl-, diacetate (ester) is C17H21NO4.
What is the molecular weight of 1H-Cyclopent(h)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-2-methyl-, diacetate (ester)?
The molecular weight of 1H-Cyclopent(h)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-2-methyl-, diacetate (ester) is 303.15 g/mol.
Where can I buy 1H-Cyclopent(h)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-2-methyl-, diacetate (ester)?
You can request a quote for 1H-Cyclopent(h)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-2-methyl-, diacetate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Cyclopent(h)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-2-methyl-, diacetate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 1H-Cyclopent(h)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-2-methyl-, diacetate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.