6-(4-Chloro-phenyl)-1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3-methyl-1,6-dihydro-pyrazolo(4,3-d)pyrimidin-7-one
TL;DR: 6-(4-Chloro-phenyl)-1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3-methyl-1,6-dihydro-pyrazolo(4,3-d)pyrimidin-7-one (CAS 89889-80-5) is a chemical compound with molecular formula C17H17ClN4O5 and molecular weight 392.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-chlorophenyl)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpyrazolo[4,5-d]pyrimidin-7-one
Also Known As: 6-(4-Chloro-phenyl)-1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3-methyl-1,6-dihydro-pyrazolo(4,3-d)pyrimidin-7-one, 6-(4-Chloro-phenyl)-1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3-methyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one, 6-(4-chlorophenyl)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpyrazolo[4,3-d]pyrimidin-7-one, 6-(4-chlorophenyl)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-methyl-pyrazolo[4,3-d]pyrimidin-7-one, 6-(4-Chlorophenyl)-3-methyl-1-beta-D-ribofuranosyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
| Molecular Formula | C17H17ClN4O5 |
|---|---|
| Molecular Weight | 392.09 g/mol |
| LogP | 0.15552 |
| Topological Polar Surface Area | 122.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 392.08875 |
| Heavy Atoms | 27 |
| Complexity | 1047.8987 |
Chemical Identifiers
| CAS Number | 89889-80-5 |
|---|---|
| SMILES | CC1=NN(C2=C1N=CN(C2=O)C3=CC=C(C=C3)Cl)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O |
Product Overview
6-(4-Chloro-phenyl)-1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3-methyl-1,6-dihydro-pyrazolo(4,3-d)pyrimidin-7-one (CAS 89889-80-5), with molecular formula C17H17ClN4O5 and molecular weight 392.09 g/mol. IUPAC: 6-(4-chlorophenyl)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpyrazolo[4,5-d]pyrimidin-7-one.
Chemical Property Profile of 6-(4-Chloro-phenyl)-1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3-methyl-1,6-dihydro-pyrazolo(4,3-d)pyrimidin-7-one
Property Insights of 6-(4-Chloro-phenyl)-1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3-methyl-1,6-dihydro-pyrazolo(4,3-d)pyrimidin-7-one
The XLogP value of 0.15552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(4-Chloro-phenyl)-1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3-methyl-1,6-dihydro-pyrazolo(4,3-d)pyrimidin-7-one. The TPSA of 122.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-Chloro-phenyl)-1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3-methyl-1,6-dihydro-pyrazolo(4,3-d)pyrimidin-7-one. Following Lipinski's Rule of Five, 6-(4-Chloro-phenyl)-1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3-methyl-1,6-dihydro-pyrazolo(4,3-d)pyrimidin-7-one has 3 hydrogen bond donor(s) and 7 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 6-(4-Chloro-phenyl)-1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3-methyl-1,6-dihydro-pyrazolo(4,3-d)pyrimidin-7-one?
The CAS number of 6-(4-Chloro-phenyl)-1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3-methyl-1,6-dihydro-pyrazolo(4,3-d)pyrimidin-7-one is 89889-80-5.
What is the molecular formula of 6-(4-Chloro-phenyl)-1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3-methyl-1,6-dihydro-pyrazolo(4,3-d)pyrimidin-7-one?
The molecular formula of 6-(4-Chloro-phenyl)-1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3-methyl-1,6-dihydro-pyrazolo(4,3-d)pyrimidin-7-one is C17H17ClN4O5.
What is the molecular weight of 6-(4-Chloro-phenyl)-1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3-methyl-1,6-dihydro-pyrazolo(4,3-d)pyrimidin-7-one?
The molecular weight of 6-(4-Chloro-phenyl)-1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3-methyl-1,6-dihydro-pyrazolo(4,3-d)pyrimidin-7-one is 392.09 g/mol.
Where can I buy 6-(4-Chloro-phenyl)-1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3-methyl-1,6-dihydro-pyrazolo(4,3-d)pyrimidin-7-one?
You can request a quote for 6-(4-Chloro-phenyl)-1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3-methyl-1,6-dihydro-pyrazolo(4,3-d)pyrimidin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(4-Chloro-phenyl)-1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3-methyl-1,6-dihydro-pyrazolo(4,3-d)pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-Chloro-phenyl)-1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3-methyl-1,6-dihydro-pyrazolo(4,3-d)pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.