N-乙酰基-2-氯吡咯
TL;DR: N-乙酰基-2-氯吡咯 (CAS 84455-05-0) is a chemical compound with molecular formula C6H6ClNO and molecular weight 143.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-乙酰基-2-氯吡咯
1-(2-chloropyrrol-1-yl)ethanone
Also Known As: N-ACETYL-2-CHLOROPYRROLE, 1-Acetyl-2-chloropyrrole, 1-Acetyl-2-chloro-1H-pyrrole, 1-(2-chloropyrrol-1-yl)ethanone, 1-Acetyl-2-chloro-1H-pyrrole #
| Molecular Formula | C6H6ClNO |
|---|---|
| Molecular Weight | 143.01 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 143.0138 |
| Heavy Atoms | 9 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 84455-05-0 |
|---|---|
| SMILES | CC(=O)N1C=CC=C1Cl |
| InChIKey | ZZPIQZARIYHADW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-乙酰基-2-氯吡咯 (CAS 84455-05-0), with molecular formula C6H6ClNO and molecular weight 143.01 g/mol. IUPAC: 1-(2-chloropyrrol-1-yl)ethanone.
Chemical Property Profile of N-乙酰基-2-氯吡咯
Property Insights of N-乙酰基-2-氯吡咯
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-乙酰基-2-氯吡咯. With a topological polar surface area (TPSA) of 22.0 Ų, N-乙酰基-2-氯吡咯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-乙酰基-2-氯吡咯 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 N-乙酰基-2-氯吡咯?
The CAS number of N-乙酰基-2-氯吡咯 is 84455-05-0.
What is the molecular formula of N-乙酰基-2-氯吡咯?
The molecular formula of N-乙酰基-2-氯吡咯 is C6H6ClNO.
What is the molecular weight of N-乙酰基-2-氯吡咯?
The molecular weight of N-乙酰基-2-氯吡咯 is 143.01 g/mol.
Where can I buy N-乙酰基-2-氯吡咯?
You can request a quote for N-乙酰基-2-氯吡咯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-乙酰基-2-氯吡咯?
Yes, KEHONG BIO provides custom synthesis services for N-乙酰基-2-氯吡咯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.