3-Methyl-2,3,4,7,8,9-hexahydro-1H-cyclopent(f)isoquinoline-5,6-diol hydrobromide
TL;DR: 3-Methyl-2,3,4,7,8,9-hexahydro-1H-cyclopent(f)isoquinoline-5,6-diol hydrobromide (CAS 57612-22-3) is a chemical compound with molecular formula C13H18BrNO2 and molecular weight 299.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1,2,4,7,8,9-hexahydrocyclopenta[f]isoquinoline-5,6-diol;hydrobromide
Also Known As: 3-Methyl-2,3,4,7,8,9-hexahydro-1H-cyclopent(f)isoquinoline-5,6-diol hydrobromide, 1H-Cyclopent(f)isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-3-methyl-, hydrobromide, 7,8-Dihydroxy-N-methyl-1,2,3,4-tetrahydro-cyclopentano(f)isoquinoline hydrobromide, 1H-Cyclopent[f]isoquinoline-5,6-diol, 2,3,4,7,8,9-hexahydro-3-methyl-, hydrobromide, 3-methyl-1,2,4,7,8,9-hexahydrocyclopenta[f]isoquinoline-5,6-diol hydrobromide
| Molecular Formula | C13H18BrNO2 |
|---|---|
| Molecular Weight | 299.05 g/mol |
| LogP | 2.1523 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 299.0521 |
| Heavy Atoms | 17 |
| Complexity | 459.46808 |
Chemical Identifiers
| CAS Number | 57612-22-3 |
|---|---|
| SMILES | CN1CCC2=C(C1)C(=C(C3=C2CCC3)O)O.Br |
Product Overview
3-Methyl-2,3,4,7,8,9-hexahydro-1H-cyclopent(f)isoquinoline-5,6-diol hydrobromide (CAS 57612-22-3), with molecular formula C13H18BrNO2 and molecular weight 299.05 g/mol. IUPAC: 3-methyl-1,2,4,7,8,9-hexahydrocyclopenta[f]isoquinoline-5,6-diol;hydrobromide.
Chemical Property Profile of 3-Methyl-2,3,4,7,8,9-hexahydro-1H-cyclopent(f)isoquinoline-5,6-diol hydrobromide
Property Insights of 3-Methyl-2,3,4,7,8,9-hexahydro-1H-cyclopent(f)isoquinoline-5,6-diol hydrobromide
The XLogP value of 2.1523 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2,3,4,7,8,9-hexahydro-1H-cyclopent(f)isoquinoline-5,6-diol hydrobromide. With a topological polar surface area (TPSA) of 43.7 Ų, 3-Methyl-2,3,4,7,8,9-hexahydro-1H-cyclopent(f)isoquinoline-5,6-diol hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-2,3,4,7,8,9-hexahydro-1H-cyclopent(f)isoquinoline-5,6-diol hydrobromide has 2 hydrogen bond donor(s) and 3 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 3-Methyl-2,3,4,7,8,9-hexahydro-1H-cyclopent(f)isoquinoline-5,6-diol hydrobromide?
The CAS number of 3-Methyl-2,3,4,7,8,9-hexahydro-1H-cyclopent(f)isoquinoline-5,6-diol hydrobromide is 57612-22-3.
What is the molecular formula of 3-Methyl-2,3,4,7,8,9-hexahydro-1H-cyclopent(f)isoquinoline-5,6-diol hydrobromide?
The molecular formula of 3-Methyl-2,3,4,7,8,9-hexahydro-1H-cyclopent(f)isoquinoline-5,6-diol hydrobromide is C13H18BrNO2.
What is the molecular weight of 3-Methyl-2,3,4,7,8,9-hexahydro-1H-cyclopent(f)isoquinoline-5,6-diol hydrobromide?
The molecular weight of 3-Methyl-2,3,4,7,8,9-hexahydro-1H-cyclopent(f)isoquinoline-5,6-diol hydrobromide is 299.05 g/mol.
Where can I buy 3-Methyl-2,3,4,7,8,9-hexahydro-1H-cyclopent(f)isoquinoline-5,6-diol hydrobromide?
You can request a quote for 3-Methyl-2,3,4,7,8,9-hexahydro-1H-cyclopent(f)isoquinoline-5,6-diol hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2,3,4,7,8,9-hexahydro-1H-cyclopent(f)isoquinoline-5,6-diol hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2,3,4,7,8,9-hexahydro-1H-cyclopent(f)isoquinoline-5,6-diol hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.