5-Tert-butyl-4-pyrrolidin-1-ylmethyl-furan-2-carboxylic acid hydrochloride
TL;DR: 5-Tert-butyl-4-pyrrolidin-1-ylmethyl-furan-2-carboxylic acid hydrochloride (CAS 63586-46-9) is a chemical compound with molecular formula C14H22ClNO3 and molecular weight 287.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-4-(pyrrolidin-1-ylmethyl)furan-2-carboxylic acid;hydrochloride
Also Known As: (Quinazolin-4-ylsulfanyl)-acetic acid, 5-TERT-BUTYL-4-PYRROLIDIN-1-YLMETHYL-FURAN-2-CARBOXYLIC ACID HYDROCHLORIDE, 5-tert-butyl-4-(pyrrolidin-1-ylmethyl)furan-2-carboxylic acid hydrochloride, 5-tert-butyl-4-(pyrrolidin-1-ylmethyl)furan-2-carboxylic acid;hydrochloride, 4-(pyrrolidin-1-ylmethyl)-5-tert-butyl-furan-2-carboxylic Acid Hydrochloride
| Molecular Formula | C14H22ClNO3 |
|---|---|
| Molecular Weight | 287.13 g/mol |
| LogP | 3.2929 |
| Topological Polar Surface Area | 53.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.1288 |
| Heavy Atoms | 19 |
| Complexity | 442.0338 |
Chemical Identifiers
| CAS Number | 63586-46-9 |
|---|---|
| SMILES | CC(C)(C)C1=C(C=C(O1)C(=O)O)CN2CCCC2.Cl |
Product Overview
5-Tert-butyl-4-pyrrolidin-1-ylmethyl-furan-2-carboxylic acid hydrochloride (CAS 63586-46-9), with molecular formula C14H22ClNO3 and molecular weight 287.13 g/mol. IUPAC: 5-tert-butyl-4-(pyrrolidin-1-ylmethyl)furan-2-carboxylic acid;hydrochloride.
Chemical Property Profile of 5-Tert-butyl-4-pyrrolidin-1-ylmethyl-furan-2-carboxylic acid hydrochloride
Property Insights of 5-Tert-butyl-4-pyrrolidin-1-ylmethyl-furan-2-carboxylic acid hydrochloride
The XLogP value of 3.2929 indicates that 5-Tert-butyl-4-pyrrolidin-1-ylmethyl-furan-2-carboxylic acid hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.68 Ų, 5-Tert-butyl-4-pyrrolidin-1-ylmethyl-furan-2-carboxylic acid hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Tert-butyl-4-pyrrolidin-1-ylmethyl-furan-2-carboxylic acid hydrochloride has 1 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 5-Tert-butyl-4-pyrrolidin-1-ylmethyl-furan-2-carboxylic acid hydrochloride?
The CAS number of 5-Tert-butyl-4-pyrrolidin-1-ylmethyl-furan-2-carboxylic acid hydrochloride is 63586-46-9.
What is the molecular formula of 5-Tert-butyl-4-pyrrolidin-1-ylmethyl-furan-2-carboxylic acid hydrochloride?
The molecular formula of 5-Tert-butyl-4-pyrrolidin-1-ylmethyl-furan-2-carboxylic acid hydrochloride is C14H22ClNO3.
What is the molecular weight of 5-Tert-butyl-4-pyrrolidin-1-ylmethyl-furan-2-carboxylic acid hydrochloride?
The molecular weight of 5-Tert-butyl-4-pyrrolidin-1-ylmethyl-furan-2-carboxylic acid hydrochloride is 287.13 g/mol.
Where can I buy 5-Tert-butyl-4-pyrrolidin-1-ylmethyl-furan-2-carboxylic acid hydrochloride?
You can request a quote for 5-Tert-butyl-4-pyrrolidin-1-ylmethyl-furan-2-carboxylic acid hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Tert-butyl-4-pyrrolidin-1-ylmethyl-furan-2-carboxylic acid hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 5-Tert-butyl-4-pyrrolidin-1-ylmethyl-furan-2-carboxylic acid hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.