Ethyl 4-(aminomethyl)-2,5-dimethylfuran-3-carboxylate
TL;DR: Ethyl 4-(aminomethyl)-2,5-dimethylfuran-3-carboxylate (CAS 312591-21-2) is a chemical compound with molecular formula C10H15NO3 and molecular weight 197.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(aminomethyl)-2,5-dimethylfuran-3-carboxylate
Also Known As: ethyl 4-(aminomethyl)-2,5-dimethylfuran-3-carboxylate, Ethyl 4-(aminomethyl)-2,5-dimethyl-3-furoate, ZERO/004543, 4-Aminomethyl-2,5-dimethyl-furan-3-carboxylic acid ethyl ester, BAS 03269049
| Molecular Formula | C10H15NO3 |
|---|---|
| Molecular Weight | 197.11 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 197.1052 |
| Heavy Atoms | 14 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 312591-21-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C1CN)C)C |
| InChIKey | XHYYUBFCPNTODV-UHFFFAOYSA-N |
Product Overview
Ethyl 4-(aminomethyl)-2,5-dimethylfuran-3-carboxylate (CAS 312591-21-2), with molecular formula C10H15NO3 and molecular weight 197.11 g/mol. IUPAC: ethyl 4-(aminomethyl)-2,5-dimethylfuran-3-carboxylate.
Chemical Property Profile of Ethyl 4-(aminomethyl)-2,5-dimethylfuran-3-carboxylate
Property Insights of Ethyl 4-(aminomethyl)-2,5-dimethylfuran-3-carboxylate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(aminomethyl)-2,5-dimethylfuran-3-carboxylate. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(aminomethyl)-2,5-dimethylfuran-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-(aminomethyl)-2,5-dimethylfuran-3-carboxylate has 1 hydrogen bond donor(s) and 4 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 Ethyl 4-(aminomethyl)-2,5-dimethylfuran-3-carboxylate?
The CAS number of Ethyl 4-(aminomethyl)-2,5-dimethylfuran-3-carboxylate is 312591-21-2.
What is the molecular formula of Ethyl 4-(aminomethyl)-2,5-dimethylfuran-3-carboxylate?
The molecular formula of Ethyl 4-(aminomethyl)-2,5-dimethylfuran-3-carboxylate is C10H15NO3.
What is the molecular weight of Ethyl 4-(aminomethyl)-2,5-dimethylfuran-3-carboxylate?
The molecular weight of Ethyl 4-(aminomethyl)-2,5-dimethylfuran-3-carboxylate is 197.11 g/mol.
Where can I buy Ethyl 4-(aminomethyl)-2,5-dimethylfuran-3-carboxylate?
You can request a quote for Ethyl 4-(aminomethyl)-2,5-dimethylfuran-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(aminomethyl)-2,5-dimethylfuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(aminomethyl)-2,5-dimethylfuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.