6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-7-methyl-, monohydrochloride
TL;DR: 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-7-methyl-, monohydrochloride (CAS 122113-26-2) is a chemical compound with molecular formula C18H21ClN4O3 and molecular weight 376.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
Also Known As: 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-7-methyl-, monohydrochloride, 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one hydrochloride, 2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-7-methyl-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one--hydrogen chloride (1/1), RefChem:309767
| Molecular Formula | C18H21ClN4O3 |
|---|---|
| Molecular Weight | 376.13 g/mol |
| LogP | 1.9972 |
| Topological Polar Surface Area | 67.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.13022 |
| Heavy Atoms | 26 |
| Complexity | 858.5701 |
Chemical Identifiers
| CAS Number | 122113-26-2 |
|---|---|
| SMILES | CN1C(=O)CC2=CN=C(N=C21)N3CCC4=CC(=C(C=C4C3)OC)OC.Cl |
Product Overview
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-7-methyl-, monohydrochloride (CAS 122113-26-2), with molecular formula C18H21ClN4O3 and molecular weight 376.13 g/mol. IUPAC: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride.
Chemical Property Profile of 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-7-methyl-, monohydrochloride
Property Insights of 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-7-methyl-, monohydrochloride
The XLogP value of 1.9972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-7-methyl-, monohydrochloride. The TPSA of 67.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-7-methyl-, monohydrochloride. Following Lipinski's Rule of Five, 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-7-methyl-, monohydrochloride has 0 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 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-7-methyl-, monohydrochloride?
The CAS number of 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-7-methyl-, monohydrochloride is 122113-26-2.
What is the molecular formula of 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-7-methyl-, monohydrochloride?
The molecular formula of 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-7-methyl-, monohydrochloride is C18H21ClN4O3.
What is the molecular weight of 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-7-methyl-, monohydrochloride?
The molecular weight of 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-7-methyl-, monohydrochloride is 376.13 g/mol.
Where can I buy 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-7-methyl-, monohydrochloride?
You can request a quote for 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-7-methyl-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-7-methyl-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-7-methyl-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.