Isopyrimol
TL;DR: Isopyrimol (CAS 55283-69-7) is a chemical compound with molecular formula C14H15ClN2O and molecular weight 262.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-methyl-1-pyrimidin-5-ylpropan-1-ol
Also Known As: Isopyrimol, Isopyrimol [ANSI], Isopyrimol (ANSI), Isopyrimol [ANSI:ISO], ISOPYRIMOL [ISO]
| Molecular Formula | C14H15ClN2O |
|---|---|
| Molecular Weight | 262.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 46.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.08728 |
| Heavy Atoms | 18 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 55283-69-7 |
|---|---|
| SMILES | CC(C)C(C1=CC=C(C=C1)Cl)(C2=CN=CN=C2)O |
| InChIKey | RKLCNSACPVMCDV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopyrimol (CAS 55283-69-7), with molecular formula C14H15ClN2O and molecular weight 262.09 g/mol. IUPAC: 1-(4-chlorophenyl)-2-methyl-1-pyrimidin-5-ylpropan-1-ol.
Chemical Property Profile of Isopyrimol
Property Insights of Isopyrimol
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopyrimol. With a topological polar surface area (TPSA) of 46.0 Ų, Isopyrimol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopyrimol has 1 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 Isopyrimol?
The CAS number of Isopyrimol is 55283-69-7.
What is the molecular formula of Isopyrimol?
The molecular formula of Isopyrimol is C14H15ClN2O.
What is the molecular weight of Isopyrimol?
The molecular weight of Isopyrimol is 262.09 g/mol.
Where can I buy Isopyrimol?
You can request a quote for Isopyrimol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopyrimol?
Yes, KEHONG BIO provides custom synthesis services for Isopyrimol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.