吡咯-2-甲醛
TL;DR: 吡咯-2-甲醛 (CAS 1003-29-8) is a chemical compound with molecular formula C5H5NO and molecular weight 95.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吡咯-2-甲醛
1H-pyrrole-2-carbaldehyde
Also Known As: 1H-Pyrrole-2-carbaldehyde, PYRROLE-2-CARBOXALDEHYDE, 2-Formylpyrrole, 1H-Pyrrole-2-carboxaldehyde, Pyrrole-2-aldehyde
| Molecular Formula | C5H5NO |
|---|---|
| Molecular Weight | 95.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 32.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 95.03712 |
| Heavy Atoms | 7 |
| Complexity | 72.0 |
| Melting Point | 50 - 51 °C |
| Boiling Point | 216.00 to 218.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.32 [mmHg] |
Chemical Identifiers
| CAS Number | 1003-29-8 |
|---|---|
| SMILES | C1=CNC(=C1)C=O |
| InChIKey | ZSKGQVFRTSEPJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
吡咯-2-甲醛 (CAS 1003-29-8), with molecular formula C5H5NO and molecular weight 95.04 g/mol. IUPAC: 1H-pyrrole-2-carbaldehyde.
Chemical Property Profile of 吡咯-2-甲醛
Property Insights of 吡咯-2-甲醛
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 吡咯-2-甲醛. With a topological polar surface area (TPSA) of 32.9 Ų, 吡咯-2-甲醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 吡咯-2-甲醛 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 吡咯-2-甲醛?
The CAS number of 吡咯-2-甲醛 is 1003-29-8.
What is the molecular formula of 吡咯-2-甲醛?
The molecular formula of 吡咯-2-甲醛 is C5H5NO.
What is the molecular weight of 吡咯-2-甲醛?
The molecular weight of 吡咯-2-甲醛 is 95.04 g/mol.
Where can I buy 吡咯-2-甲醛?
You can request a quote for 吡咯-2-甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吡咯-2-甲醛?
Yes, KEHONG BIO provides custom synthesis services for 吡咯-2-甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.