4-Aminomethyl-5-isobutyl-2-methyl-furan-3-carboxylic acid
TL;DR: 4-Aminomethyl-5-isobutyl-2-methyl-furan-3-carboxylic acid (CAS 944467-91-8) is a chemical compound with molecular formula C11H17NO3 and molecular weight 211.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(aminomethyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid
Also Known As: ZERO/005133, BAS 07207370, 4-Aminomethyl-5-isobutyl-2-methyl-furan-3-carboxylic acid, 4-(Aminomethyl)-5-isobutyl-2-methylfuran-3-carboxylic acid, 4-(aminomethyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid
| Molecular Formula | C11H17NO3 |
|---|---|
| Molecular Weight | 211.12 g/mol |
| LogP | 1.94342 |
| Topological Polar Surface Area | 76.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 211.12085 |
| Heavy Atoms | 15 |
| Complexity | 366.1551 |
Chemical Identifiers
| CAS Number | 944467-91-8 |
|---|---|
| SMILES | CC1=C(C(=C(O1)CC(C)C)CN)C(=O)O |
Product Overview
4-Aminomethyl-5-isobutyl-2-methyl-furan-3-carboxylic acid (CAS 944467-91-8), with molecular formula C11H17NO3 and molecular weight 211.12 g/mol. IUPAC: 4-(aminomethyl)-2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid.
Chemical Property Profile of 4-Aminomethyl-5-isobutyl-2-methyl-furan-3-carboxylic acid
Property Insights of 4-Aminomethyl-5-isobutyl-2-methyl-furan-3-carboxylic acid
The XLogP value of 1.94342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Aminomethyl-5-isobutyl-2-methyl-furan-3-carboxylic acid. The TPSA of 76.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Aminomethyl-5-isobutyl-2-methyl-furan-3-carboxylic acid. Following Lipinski's Rule of Five, 4-Aminomethyl-5-isobutyl-2-methyl-furan-3-carboxylic acid has 2 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 4-Aminomethyl-5-isobutyl-2-methyl-furan-3-carboxylic acid?
The CAS number of 4-Aminomethyl-5-isobutyl-2-methyl-furan-3-carboxylic acid is 944467-91-8.
What is the molecular formula of 4-Aminomethyl-5-isobutyl-2-methyl-furan-3-carboxylic acid?
The molecular formula of 4-Aminomethyl-5-isobutyl-2-methyl-furan-3-carboxylic acid is C11H17NO3.
What is the molecular weight of 4-Aminomethyl-5-isobutyl-2-methyl-furan-3-carboxylic acid?
The molecular weight of 4-Aminomethyl-5-isobutyl-2-methyl-furan-3-carboxylic acid is 211.12 g/mol.
Where can I buy 4-Aminomethyl-5-isobutyl-2-methyl-furan-3-carboxylic acid?
You can request a quote for 4-Aminomethyl-5-isobutyl-2-methyl-furan-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Aminomethyl-5-isobutyl-2-methyl-furan-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Aminomethyl-5-isobutyl-2-methyl-furan-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.