4-(Hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one
TL;DR: 4-(Hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one (CAS 13047-13-7) is a chemical compound with molecular formula C11H14N2O2 and molecular weight 206.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one
Also Known As: Dimezone S, 4-(Hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one, 4-Hydroxymethyl-4-methyl-1-phenyl-3-pyrazolidone, 3-Pyrazolidinone, 4-(hydroxymethyl)-4-methyl-1-phenyl-, Tox21_301800
| Molecular Formula | C11H14N2O2 |
|---|---|
| Molecular Weight | 206.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.10553 |
| Heavy Atoms | 15 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 13047-13-7 |
|---|---|
| SMILES | CC1(CN(NC1=O)C2=CC=CC=C2)CO |
| InChIKey | DSVIHYOAKPVFEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one (CAS 13047-13-7), with molecular formula C11H14N2O2 and molecular weight 206.11 g/mol. IUPAC: 4-(hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one.
Chemical Property Profile of 4-(Hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one
Property Insights of 4-(Hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one. With a topological polar surface area (TPSA) of 52.6 Ų, 4-(Hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one has 2 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 4-(Hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one?
The CAS number of 4-(Hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one is 13047-13-7.
What is the molecular formula of 4-(Hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one?
The molecular formula of 4-(Hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one is C11H14N2O2.
What is the molecular weight of 4-(Hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one?
The molecular weight of 4-(Hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one is 206.11 g/mol.
Where can I buy 4-(Hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one?
You can request a quote for 4-(Hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(Hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.