2-Furoic acid, 5-(chloromethyl)-, butyl ester
TL;DR: 2-Furoic acid, 5-(chloromethyl)-, butyl ester (CAS 5410-46-8) is a chemical compound with molecular formula C10H13ClO3 and molecular weight 216.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 5-(chloromethyl)furan-2-carboxylate
Also Known As: butyl 5-(chloromethyl)furan-2-carboxylate, Butyl 5-chloromethyl-2-furancarboxylate, 2-Furoic acid, 5-(chloromethyl)-, butyl ester, 4-18-00-04085 (Beilstein Handbook Reference), 5-(Chloromethyl)-2-furancarboxylic acid butyl ester
| Molecular Formula | C10H13ClO3 |
|---|---|
| Molecular Weight | 216.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 216.05533 |
| Heavy Atoms | 14 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 5410-46-8 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(O1)CCl |
| InChIKey | USECJSOQKIOKSX-UHFFFAOYSA-N |
Product Overview
2-Furoic acid, 5-(chloromethyl)-, butyl ester (CAS 5410-46-8), with molecular formula C10H13ClO3 and molecular weight 216.06 g/mol. IUPAC: butyl 5-(chloromethyl)furan-2-carboxylate.
Chemical Property Profile of 2-Furoic acid, 5-(chloromethyl)-, butyl ester
Property Insights of 2-Furoic acid, 5-(chloromethyl)-, butyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Furoic acid, 5-(chloromethyl)-, butyl ester. With a topological polar surface area (TPSA) of 39.4 Ų, 2-Furoic acid, 5-(chloromethyl)-, butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Furoic acid, 5-(chloromethyl)-, butyl ester has 0 hydrogen bond donor(s) and 3 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 2-Furoic acid, 5-(chloromethyl)-, butyl ester?
The CAS number of 2-Furoic acid, 5-(chloromethyl)-, butyl ester is 5410-46-8.
What is the molecular formula of 2-Furoic acid, 5-(chloromethyl)-, butyl ester?
The molecular formula of 2-Furoic acid, 5-(chloromethyl)-, butyl ester is C10H13ClO3.
What is the molecular weight of 2-Furoic acid, 5-(chloromethyl)-, butyl ester?
The molecular weight of 2-Furoic acid, 5-(chloromethyl)-, butyl ester is 216.06 g/mol.
Where can I buy 2-Furoic acid, 5-(chloromethyl)-, butyl ester?
You can request a quote for 2-Furoic acid, 5-(chloromethyl)-, butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Furoic acid, 5-(chloromethyl)-, butyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Furoic acid, 5-(chloromethyl)-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.