4,5-Dimethyl-1H-pyrrole-3-carboxaldehyde
TL;DR: 4,5-Dimethyl-1H-pyrrole-3-carboxaldehyde (CAS 958990-99-3) is a chemical compound with molecular formula C7H9NO and molecular weight 123.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethyl-1H-pyrrole-3-carbaldehyde
Also Known As: 3-Formyl-4,5-dimethyl-pyrrole, 4,5-DIMETHYL-1H-PYRROLE-3-CARBOXALDEHYDE, 4,5-Dimethyl-1H-pyrrole-3-carbaldehyde, 4,5-Dimethyl-1H-pyrrole-3-carbaldehyde #
| Molecular Formula | C7H9NO |
|---|---|
| Molecular Weight | 123.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 32.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 123.06841 |
| Heavy Atoms | 9 |
| Complexity | 113.0 |
Chemical Identifiers
| CAS Number | 958990-99-3 |
|---|---|
| SMILES | CC1=C(NC=C1C=O)C |
| InChIKey | CFVNZMYMQDHIFP-UHFFFAOYSA-N |
Product Overview
4,5-Dimethyl-1H-pyrrole-3-carboxaldehyde (CAS 958990-99-3), with molecular formula C7H9NO and molecular weight 123.07 g/mol. IUPAC: 4,5-dimethyl-1H-pyrrole-3-carbaldehyde.
Chemical Property Profile of 4,5-Dimethyl-1H-pyrrole-3-carboxaldehyde
Property Insights of 4,5-Dimethyl-1H-pyrrole-3-carboxaldehyde
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dimethyl-1H-pyrrole-3-carboxaldehyde. With a topological polar surface area (TPSA) of 32.9 Ų, 4,5-Dimethyl-1H-pyrrole-3-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dimethyl-1H-pyrrole-3-carboxaldehyde has 1 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 4,5-Dimethyl-1H-pyrrole-3-carboxaldehyde?
The CAS number of 4,5-Dimethyl-1H-pyrrole-3-carboxaldehyde is 958990-99-3.
What is the molecular formula of 4,5-Dimethyl-1H-pyrrole-3-carboxaldehyde?
The molecular formula of 4,5-Dimethyl-1H-pyrrole-3-carboxaldehyde is C7H9NO.
What is the molecular weight of 4,5-Dimethyl-1H-pyrrole-3-carboxaldehyde?
The molecular weight of 4,5-Dimethyl-1H-pyrrole-3-carboxaldehyde is 123.07 g/mol.
Where can I buy 4,5-Dimethyl-1H-pyrrole-3-carboxaldehyde?
You can request a quote for 4,5-Dimethyl-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 4,5-Dimethyl-1H-pyrrole-3-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dimethyl-1H-pyrrole-3-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.