吡咯-2-甲酰氯
TL;DR: 吡咯-2-甲酰氯 (CAS 5427-82-7) is a chemical compound with molecular formula C5H4ClNO and molecular weight 129.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吡咯-2-甲酰氯
1H-pyrrole-2-carbonyl chloride
Also Known As: Pyrrole-2-carbonyl chloride, 1H-pyrrole-2-carbonyl chloride, Pyrroylchlorid, 2-Pyrrolecarbonyl chloride, 2-chlorocarbonyl-1H-pyrrole
| Molecular Formula | C5H4ClNO |
|---|---|
| Molecular Weight | 129.00 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 32.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 128.99814 |
| Heavy Atoms | 8 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 5427-82-7 |
|---|---|
| SMILES | C1=CNC(=C1)C(=O)Cl |
| InChIKey | SFGNNBCWQOIVAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
吡咯-2-甲酰氯 (CAS 5427-82-7), with molecular formula C5H4ClNO and molecular weight 129.00 g/mol. IUPAC: 1H-pyrrole-2-carbonyl chloride.
Chemical Property Profile of 吡咯-2-甲酰氯
Property Insights of 吡咯-2-甲酰氯
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 吡咯-2-甲酰氯. With a topological polar surface area (TPSA) of 32.9 Ų, 吡咯-2-甲酰氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 吡咯-2-甲酰氯 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-甲酰氯?
The CAS number of 吡咯-2-甲酰氯 is 5427-82-7.
What is the molecular formula of 吡咯-2-甲酰氯?
The molecular formula of 吡咯-2-甲酰氯 is C5H4ClNO.
What is the molecular weight of 吡咯-2-甲酰氯?
The molecular weight of 吡咯-2-甲酰氯 is 129.00 g/mol.
Where can I buy 吡咯-2-甲酰氯?
You can request a quote for 吡咯-2-甲酰氯 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-甲酰氯?
Yes, KEHONG BIO provides custom synthesis services for 吡咯-2-甲酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.