5-氯甲基糠醛
TL;DR: 5-氯甲基糠醛 (CAS 1623-88-7) is a chemical compound with molecular formula C6H5ClO2 and molecular weight 144.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-氯甲基糠醛
5-(chloromethyl)furan-2-carbaldehyde
Also Known As: 5-Chloromethylfurfural, 5-(chloromethyl)furan-2-carbaldehyde, 5-(Chloromethyl)-2-furaldehyde, 5-(Chloromethyl)furfural, 5-Chloromethyl furfural
| Molecular Formula | C6H5ClO2 |
|---|---|
| Molecular Weight | 144.00 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 143.9978 |
| Heavy Atoms | 9 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 1623-88-7 |
|---|---|
| SMILES | C1=C(OC(=C1)C=O)CCl |
| InChIKey | KAZRCBVXUOCTIO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-氯甲基糠醛 (CAS 1623-88-7), with molecular formula C6H5ClO2 and molecular weight 144.00 g/mol. IUPAC: 5-(chloromethyl)furan-2-carbaldehyde.
Chemical Property Profile of 5-氯甲基糠醛
Property Insights of 5-氯甲基糠醛
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-氯甲基糠醛. With a topological polar surface area (TPSA) of 30.2 Ų, 5-氯甲基糠醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-氯甲基糠醛 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 5-氯甲基糠醛?
The CAS number of 5-氯甲基糠醛 is 1623-88-7.
What is the molecular formula of 5-氯甲基糠醛?
The molecular formula of 5-氯甲基糠醛 is C6H5ClO2.
What is the molecular weight of 5-氯甲基糠醛?
The molecular weight of 5-氯甲基糠醛 is 144.00 g/mol.
Where can I buy 5-氯甲基糠醛?
You can request a quote for 5-氯甲基糠醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-氯甲基糠醛?
Yes, KEHONG BIO provides custom synthesis services for 5-氯甲基糠醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.