4-氯-2H-1-苯并吡喃-2-酮
TL;DR: 4-氯-2H-1-苯并吡喃-2-酮 (CAS 17831-88-8) is a chemical compound with molecular formula C9H5ClO2 and molecular weight 180.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯-2H-1-苯并吡喃-2-酮
4-chlorochromen-2-one
Also Known As: 4-chloro-2h-chromen-2-one, 4-chlorochromen-2-one, 4-Chloro-2H-1-benzopyran-2-one, 4-chlorocoumarin, 4-chloro coumarin
| Molecular Formula | C9H5ClO2 |
|---|---|
| Molecular Weight | 180.00 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.9978 |
| Heavy Atoms | 12 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 17831-88-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC(=O)O2)Cl |
| InChIKey | RKEYJFRSDLEQIE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯-2H-1-苯并吡喃-2-酮 (CAS 17831-88-8), with molecular formula C9H5ClO2 and molecular weight 180.00 g/mol. IUPAC: 4-chlorochromen-2-one.
Chemical Property Profile of 4-氯-2H-1-苯并吡喃-2-酮
Property Insights of 4-氯-2H-1-苯并吡喃-2-酮
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氯-2H-1-苯并吡喃-2-酮. With a topological polar surface area (TPSA) of 26.3 Ų, 4-氯-2H-1-苯并吡喃-2-酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氯-2H-1-苯并吡喃-2-酮 has 0 hydrogen bond donor(s) and 2 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-氯-2H-1-苯并吡喃-2-酮?
The CAS number of 4-氯-2H-1-苯并吡喃-2-酮 is 17831-88-8.
What is the molecular formula of 4-氯-2H-1-苯并吡喃-2-酮?
The molecular formula of 4-氯-2H-1-苯并吡喃-2-酮 is C9H5ClO2.
What is the molecular weight of 4-氯-2H-1-苯并吡喃-2-酮?
The molecular weight of 4-氯-2H-1-苯并吡喃-2-酮 is 180.00 g/mol.
Where can I buy 4-氯-2H-1-苯并吡喃-2-酮?
You can request a quote for 4-氯-2H-1-苯并吡喃-2-酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯-2H-1-苯并吡喃-2-酮?
Yes, KEHONG BIO provides custom synthesis services for 4-氯-2H-1-苯并吡喃-2-酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.