HOOC-EP-COOEt
TL;DR: HOOC-EP-COOEt (CAS 89889-87-2) is a chemical compound with molecular formula C19H22N4O6 and molecular weight 402.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[4,5-d]pyrimidin-7-one
Also Known As: HOOC-EP-COOEt, 1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-6-(4-methoxy-benzyl)-3-methyl-1,6-dihydro-pyrazolo(4,3-d)pyrimidin-7-one, 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[4,3-d]pyrimidin-7-one, 1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-6-(4-methoxy-benzyl)-3-methyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one, 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-[(4-methoxyphenyl)methyl]-3-methyl-pyrazolo[4,3-d]pyrimidin-7-one
| Molecular Formula | C19H22N4O6 |
|---|---|
| Molecular Weight | 402.15 g/mol |
| LogP | -0.43018 |
| Topological Polar Surface Area | 131.86 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.15393 |
| Heavy Atoms | 29 |
| Complexity | 1076.7332 |
Chemical Identifiers
| CAS Number | 89889-87-2 |
|---|---|
| SMILES | CC1=NN(C2=C1N=CN(C2=O)CC3=CC=C(C=C3)OC)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O |
Product Overview
HOOC-EP-COOEt (CAS 89889-87-2), with molecular formula C19H22N4O6 and molecular weight 402.15 g/mol. IUPAC: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[4,5-d]pyrimidin-7-one.
Chemical Property Profile of HOOC-EP-COOEt
Property Insights of HOOC-EP-COOEt
The XLogP value of -0.43018 indicates that HOOC-EP-COOEt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 131.86 Ų falls within the moderate polarity range, balancing permeability and solubility for HOOC-EP-COOEt. Following Lipinski's Rule of Five, HOOC-EP-COOEt has 3 hydrogen bond donor(s) and 8 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 HOOC-EP-COOEt?
The CAS number of HOOC-EP-COOEt is 89889-87-2.
What is the molecular formula of HOOC-EP-COOEt?
The molecular formula of HOOC-EP-COOEt is C19H22N4O6.
What is the molecular weight of HOOC-EP-COOEt?
The molecular weight of HOOC-EP-COOEt is 402.15 g/mol.
Where can I buy HOOC-EP-COOEt?
You can request a quote for HOOC-EP-COOEt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for HOOC-EP-COOEt?
Yes, KEHONG BIO provides custom synthesis services for HOOC-EP-COOEt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.