2,5-Dimethyl-1-phenyl-1H-pyrrole-3-carbaldehyde oxime
TL;DR: 2,5-Dimethyl-1-phenyl-1H-pyrrole-3-carbaldehyde oxime (CAS 330452-87-4) is a chemical compound with molecular formula C13H14N2O and molecular weight 214.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NE)-N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]hydroxylamine
Also Known As: 2,5-Dimethyl-1-phenyl-1H-pyrrole-3-carbaldehyde oxime, BAS 00688192, (NE)-N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]hydroxylamine, (2,5-dimethyl-1-phenylpyrrol-3-yl)(hydroxyimino)methane, (E)-1-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-N-hydroxymethanimine
| Molecular Formula | C13H14N2O |
|---|---|
| Molecular Weight | 214.11 g/mol |
| LogP | 2.90224 |
| Topological Polar Surface Area | 37.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.11061 |
| Heavy Atoms | 16 |
| Complexity | 512.2289 |
Chemical Identifiers
| CAS Number | 330452-87-4 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC=C2)C)/C=N/O |
Product Overview
2,5-Dimethyl-1-phenyl-1H-pyrrole-3-carbaldehyde oxime (CAS 330452-87-4), with molecular formula C13H14N2O and molecular weight 214.11 g/mol. IUPAC: (NE)-N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]hydroxylamine.
Chemical Property Profile of 2,5-Dimethyl-1-phenyl-1H-pyrrole-3-carbaldehyde oxime
Property Insights of 2,5-Dimethyl-1-phenyl-1H-pyrrole-3-carbaldehyde oxime
The XLogP value of 2.90224 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dimethyl-1-phenyl-1H-pyrrole-3-carbaldehyde oxime. With a topological polar surface area (TPSA) of 37.52 Ų, 2,5-Dimethyl-1-phenyl-1H-pyrrole-3-carbaldehyde oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dimethyl-1-phenyl-1H-pyrrole-3-carbaldehyde oxime has 1 hydrogen bond donor(s) and 2 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 2,5-Dimethyl-1-phenyl-1H-pyrrole-3-carbaldehyde oxime?
The CAS number of 2,5-Dimethyl-1-phenyl-1H-pyrrole-3-carbaldehyde oxime is 330452-87-4.
What is the molecular formula of 2,5-Dimethyl-1-phenyl-1H-pyrrole-3-carbaldehyde oxime?
The molecular formula of 2,5-Dimethyl-1-phenyl-1H-pyrrole-3-carbaldehyde oxime is C13H14N2O.
What is the molecular weight of 2,5-Dimethyl-1-phenyl-1H-pyrrole-3-carbaldehyde oxime?
The molecular weight of 2,5-Dimethyl-1-phenyl-1H-pyrrole-3-carbaldehyde oxime is 214.11 g/mol.
Where can I buy 2,5-Dimethyl-1-phenyl-1H-pyrrole-3-carbaldehyde oxime?
You can request a quote for 2,5-Dimethyl-1-phenyl-1H-pyrrole-3-carbaldehyde oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dimethyl-1-phenyl-1H-pyrrole-3-carbaldehyde oxime?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethyl-1-phenyl-1H-pyrrole-3-carbaldehyde oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.