6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(4-(4-methoxyphenyl)-1-piperazinyl)-7-methyl-,monohydrochloride
TL;DR: 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(4-(4-methoxyphenyl)-1-piperazinyl)-7-methyl-,monohydrochloride (CAS 122113-35-3) is a chemical compound with molecular formula C18H22ClN5O2 and molecular weight 375.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-methoxyphenyl)piperazin-1-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-(4-(4-methoxyphenyl)-1-piperazinyl)-7-methyl-,monohydrochloride, 2-[4-(4-Methoxyphenyl)piperazin-1-yl]-7-methyl-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one--hydrogen chloride (1/1), 2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one hydrochloride, RefChem:309773
| Molecular Formula | C18H22ClN5O2 |
|---|---|
| Molecular Weight | 375.15 g/mol |
| LogP | 1.7525 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 375.1462 |
| Heavy Atoms | 26 |
| Complexity | 790.6685 |
Chemical Identifiers
| CAS Number | 122113-35-3 |
|---|---|
| SMILES | CN1C(=O)CC2=CN=C(N=C21)N3CCN(CC3)C4=CC=C(C=C4)OC.Cl |
Product Overview
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(4-(4-methoxyphenyl)-1-piperazinyl)-7-methyl-,monohydrochloride (CAS 122113-35-3), with molecular formula C18H22ClN5O2 and molecular weight 375.15 g/mol. IUPAC: 2-[4-(4-methoxyphenyl)piperazin-1-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-(4-(4-methoxyphenyl)-1-piperazinyl)-7-methyl-,monohydrochloride
Property Insights of 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(4-(4-methoxyphenyl)-1-piperazinyl)-7-methyl-,monohydrochloride
The XLogP value of 1.7525 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(4-(4-methoxyphenyl)-1-piperazinyl)-7-methyl-,monohydrochloride. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(4-(4-methoxyphenyl)-1-piperazinyl)-7-methyl-,monohydrochloride. Following Lipinski's Rule of Five, 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(4-(4-methoxyphenyl)-1-piperazinyl)-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-(4-(4-methoxyphenyl)-1-piperazinyl)-7-methyl-,monohydrochloride?
The CAS number of 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(4-(4-methoxyphenyl)-1-piperazinyl)-7-methyl-,monohydrochloride is 122113-35-3.
What is the molecular formula of 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(4-(4-methoxyphenyl)-1-piperazinyl)-7-methyl-,monohydrochloride?
The molecular formula of 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(4-(4-methoxyphenyl)-1-piperazinyl)-7-methyl-,monohydrochloride is C18H22ClN5O2.
What is the molecular weight of 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(4-(4-methoxyphenyl)-1-piperazinyl)-7-methyl-,monohydrochloride?
The molecular weight of 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(4-(4-methoxyphenyl)-1-piperazinyl)-7-methyl-,monohydrochloride is 375.15 g/mol.
Where can I buy 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(4-(4-methoxyphenyl)-1-piperazinyl)-7-methyl-,monohydrochloride?
You can request a quote for 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(4-(4-methoxyphenyl)-1-piperazinyl)-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-(4-(4-methoxyphenyl)-1-piperazinyl)-7-methyl-,monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(4-(4-methoxyphenyl)-1-piperazinyl)-7-methyl-,monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.