2,5-二甲基-1-苯基吡咯-3-甲醛
TL;DR: 2,5-二甲基-1-苯基吡咯-3-甲醛 (CAS 83-18-1) 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.
2,5-二甲基-1-苯基吡咯-3-甲醛
2,5-dimethyl-1-phenylpyrrole-3-carbaldehyde
Also Known As: 2,5-Dimethyl-1-phenyl-1H-pyrrole-3-carbaldehyde, 2,5-Dimethyl-1-Phenylpyrrole-3-Carboxaldehyde, 2,5-dimethyl-1-phenylpyrrole-3-carbaldehyde, 2-Bromopentafluoropropene, 1H-Pyrrole-3-carboxaldehyde, 2,5-dimethyl-1-phenyl-
| Molecular Formula | C13H13NO |
|---|---|
| Molecular Weight | 199.10 g/mol |
| LogP | 2.6 |
| 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 | 83-18-1 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC=C2)C)C=O |
| InChIKey | LNROIXNEIZSESG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-二甲基-1-苯基吡咯-3-甲醛 (CAS 83-18-1), with molecular formula C13H13NO and molecular weight 199.10 g/mol. IUPAC: 2,5-dimethyl-1-phenylpyrrole-3-carbaldehyde.
Chemical Property Profile of 2,5-二甲基-1-苯基吡咯-3-甲醛
Property Insights of 2,5-二甲基-1-苯基吡咯-3-甲醛
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-二甲基-1-苯基吡咯-3-甲醛. With a topological polar surface area (TPSA) of 22.0 Ų, 2,5-二甲基-1-苯基吡咯-3-甲醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-二甲基-1-苯基吡咯-3-甲醛 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 2,5-二甲基-1-苯基吡咯-3-甲醛?
The CAS number of 2,5-二甲基-1-苯基吡咯-3-甲醛 is 83-18-1.
What is the molecular formula of 2,5-二甲基-1-苯基吡咯-3-甲醛?
The molecular formula of 2,5-二甲基-1-苯基吡咯-3-甲醛 is C13H13NO.
What is the molecular weight of 2,5-二甲基-1-苯基吡咯-3-甲醛?
The molecular weight of 2,5-二甲基-1-苯基吡咯-3-甲醛 is 199.10 g/mol.
Where can I buy 2,5-二甲基-1-苯基吡咯-3-甲醛?
You can request a quote for 2,5-二甲基-1-苯基吡咯-3-甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-二甲基-1-苯基吡咯-3-甲醛?
Yes, KEHONG BIO provides custom synthesis services for 2,5-二甲基-1-苯基吡咯-3-甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.