5-(Sec-butylamino-methyl)-furan-2-carboxylic acid methyl ester
TL;DR: 5-(Sec-butylamino-methyl)-furan-2-carboxylic acid methyl ester (CAS 1052406-52-6) is a chemical compound with molecular formula C11H18ClNO3 and molecular weight 247.09752 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 5-[(butan-2-ylamino)methyl]furan-2-carboxylate;hydrochloride
Also Known As: 5-(Sec-butylamino-methyl)-furan-2-carboxylic acid methyl ester, methyl 5-((sec-butylamino)methyl)furan-2-carboxylate hydrochloride, methyl 5-[(butan-2-ylamino)methyl]furan-2-carboxylate hydrochloride
Technical Specifications
| Molecular Formula | C11H18ClNO3 |
| Molecular Weight | 247.09752 g/mol |
| XLogP | 2.3761 |
| Topological Polar Surface Area (TPSA) | 51.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 247.09752 Da |
| Heavy Atoms | 16 |
| Complexity | 208.0 |
| SMILES | CCC(C)NCC1=CC=C(O1)C(=O)OC.Cl |
| InChIKey | OTYZBYXMUWLJJB-UHFFFAOYSA-N |
Chemical Property Profile of 5-(Sec-butylamino-methyl)-furan-2-carboxylic acid methyl ester
Property Insights of 5-(Sec-butylamino-methyl)-furan-2-carboxylic acid methyl ester
The XLogP value of 2.3761 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Sec-butylamino-methyl)-furan-2-carboxylic acid methyl ester. With a topological polar surface area (TPSA) of 51.5 Ų, 5-(Sec-butylamino-methyl)-furan-2-carboxylic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Sec-butylamino-methyl)-furan-2-carboxylic acid methyl ester has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(Sec-butylamino-methyl)-furan-2-carboxylic acid methyl ester?
The CAS number of 5-(Sec-butylamino-methyl)-furan-2-carboxylic acid methyl ester is 1052406-52-6.
What is the molecular formula of 5-(Sec-butylamino-methyl)-furan-2-carboxylic acid methyl ester?
The molecular formula of 5-(Sec-butylamino-methyl)-furan-2-carboxylic acid methyl ester is C11H18ClNO3.
What is the molecular weight of 5-(Sec-butylamino-methyl)-furan-2-carboxylic acid methyl ester?
The molecular weight of 5-(Sec-butylamino-methyl)-furan-2-carboxylic acid methyl ester is 247.09752 g/mol.
Where can I buy 5-(Sec-butylamino-methyl)-furan-2-carboxylic acid methyl ester?
You can request a quote for 5-(Sec-butylamino-methyl)-furan-2-carboxylic acid methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(Sec-butylamino-methyl)-furan-2-carboxylic acid methyl ester?
Yes, CoreyChem provides custom synthesis services for 5-(Sec-butylamino-methyl)-furan-2-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.