1,2-Dimethyl-5-phenyl-1H-pyrrole-3-carboxaldehyde
TL;DR: 1,2-Dimethyl-5-phenyl-1H-pyrrole-3-carboxaldehyde (CAS 104143-87-5) is a chemical compound with molecular formula C13H13NO and molecular weight 199.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dimethyl-5-phenylpyrrole-3-carbaldehyde
Also Known As: 1,2-dimethyl-5-phenylpyrrole-3-carbaldehyde, 1,2-dimethyl-5-phenyl-1H-pyrrole-3-carbaldehyde, 1,2-Dimethyl-5-phenyl-1H-pyrrole-3-carboxaldehyde
| Molecular Formula | C13H13NO |
|---|---|
| Molecular Weight | 199.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.09972 |
| Heavy Atoms | 15 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 104143-87-5 |
|---|---|
| SMILES | CC1=C(C=C(N1C)C2=CC=CC=C2)C=O |
| InChIKey | UBYNCMCVHOVICB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Dimethyl-5-phenyl-1H-pyrrole-3-carboxaldehyde (CAS 104143-87-5), with molecular formula C13H13NO and molecular weight 199.10 g/mol. IUPAC: 1,2-dimethyl-5-phenylpyrrole-3-carbaldehyde.
Chemical Property Profile of 1,2-Dimethyl-5-phenyl-1H-pyrrole-3-carboxaldehyde
Property Insights of 1,2-Dimethyl-5-phenyl-1H-pyrrole-3-carboxaldehyde
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Dimethyl-5-phenyl-1H-pyrrole-3-carboxaldehyde. With a topological polar surface area (TPSA) of 22.0 Ų, 1,2-Dimethyl-5-phenyl-1H-pyrrole-3-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dimethyl-5-phenyl-1H-pyrrole-3-carboxaldehyde has 0 hydrogen bond donor(s) and 1 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 1,2-Dimethyl-5-phenyl-1H-pyrrole-3-carboxaldehyde?
The CAS number of 1,2-Dimethyl-5-phenyl-1H-pyrrole-3-carboxaldehyde is 104143-87-5.
What is the molecular formula of 1,2-Dimethyl-5-phenyl-1H-pyrrole-3-carboxaldehyde?
The molecular formula of 1,2-Dimethyl-5-phenyl-1H-pyrrole-3-carboxaldehyde is C13H13NO.
What is the molecular weight of 1,2-Dimethyl-5-phenyl-1H-pyrrole-3-carboxaldehyde?
The molecular weight of 1,2-Dimethyl-5-phenyl-1H-pyrrole-3-carboxaldehyde is 199.10 g/mol.
Where can I buy 1,2-Dimethyl-5-phenyl-1H-pyrrole-3-carboxaldehyde?
You can request a quote for 1,2-Dimethyl-5-phenyl-1H-pyrrole-3-carboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dimethyl-5-phenyl-1H-pyrrole-3-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dimethyl-5-phenyl-1H-pyrrole-3-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.