5-Isobutyl-2-methyl-4-pyrrolidin-1-ylmethyl-furan-3-carboxylic acid
TL;DR: 5-Isobutyl-2-methyl-4-pyrrolidin-1-ylmethyl-furan-3-carboxylic acid (CAS 435341-88-1) is a chemical compound with molecular formula C15H23NO3 and molecular weight 265.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-(2-methylpropyl)-4-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid
Also Known As: Urea, 1-methyl-2-thio-, 5-Isobutyl-2-methyl-4-pyrrolidin-1-ylmethyl-furan-3-carboxylic acid, BAS 05239306, 5-Isobutyl-2-methyl-4-(pyrrolidin-1-ylmethyl)-3-furoic acid, AH-487/41427105
| Molecular Formula | C15H23NO3 |
|---|---|
| Molecular Weight | 265.17 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 53.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 265.1678 |
| Heavy Atoms | 19 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 435341-88-1 |
|---|---|
| SMILES | CC1=C(C(=C(O1)CC(C)C)CN2CCCC2)C(=O)O |
| InChIKey | ALZKLDYJMQRCIQ-UHFFFAOYSA-N |
Product Overview
5-Isobutyl-2-methyl-4-pyrrolidin-1-ylmethyl-furan-3-carboxylic acid (CAS 435341-88-1), with molecular formula C15H23NO3 and molecular weight 265.17 g/mol. IUPAC: 2-methyl-5-(2-methylpropyl)-4-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid.
Chemical Property Profile of 5-Isobutyl-2-methyl-4-pyrrolidin-1-ylmethyl-furan-3-carboxylic acid
Property Insights of 5-Isobutyl-2-methyl-4-pyrrolidin-1-ylmethyl-furan-3-carboxylic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Isobutyl-2-methyl-4-pyrrolidin-1-ylmethyl-furan-3-carboxylic acid. With a topological polar surface area (TPSA) of 53.7 Ų, 5-Isobutyl-2-methyl-4-pyrrolidin-1-ylmethyl-furan-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Isobutyl-2-methyl-4-pyrrolidin-1-ylmethyl-furan-3-carboxylic acid 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 5-Isobutyl-2-methyl-4-pyrrolidin-1-ylmethyl-furan-3-carboxylic acid?
The CAS number of 5-Isobutyl-2-methyl-4-pyrrolidin-1-ylmethyl-furan-3-carboxylic acid is 435341-88-1.
What is the molecular formula of 5-Isobutyl-2-methyl-4-pyrrolidin-1-ylmethyl-furan-3-carboxylic acid?
The molecular formula of 5-Isobutyl-2-methyl-4-pyrrolidin-1-ylmethyl-furan-3-carboxylic acid is C15H23NO3.
What is the molecular weight of 5-Isobutyl-2-methyl-4-pyrrolidin-1-ylmethyl-furan-3-carboxylic acid?
The molecular weight of 5-Isobutyl-2-methyl-4-pyrrolidin-1-ylmethyl-furan-3-carboxylic acid is 265.17 g/mol.
Where can I buy 5-Isobutyl-2-methyl-4-pyrrolidin-1-ylmethyl-furan-3-carboxylic acid?
You can request a quote for 5-Isobutyl-2-methyl-4-pyrrolidin-1-ylmethyl-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 5-Isobutyl-2-methyl-4-pyrrolidin-1-ylmethyl-furan-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Isobutyl-2-methyl-4-pyrrolidin-1-ylmethyl-furan-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.