5-(1-Adamantyl)-2-methyl-3-furoic acid
TL;DR: 5-(1-Adamantyl)-2-methyl-3-furoic acid (CAS 669701-31-9) is a chemical compound with molecular formula C16H20O3 and molecular weight 260.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1-adamantyl)-2-methylfuran-3-carboxylic acid
Also Known As: 5-(1-adamantyl)-2-methyl-3-furoic acid, 5-(Adamantan-1-yl)-2-methylfuran-3-carboxylic acid, 5-(1-adamantyl)-2-methylfuran-3-carboxylic acid, 5-(1-adamantyl)-2-methyl-furan-3-carboxylic Acid, 5-adamantanyl-2-methylfuran-3-carboxylic acid
| Molecular Formula | C16H20O3 |
|---|---|
| Molecular Weight | 260.14 g/mol |
| LogP | 3.75402 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.14124 |
| Heavy Atoms | 19 |
| Complexity | 504.9048 |
Chemical Identifiers
| CAS Number | 669701-31-9 |
|---|---|
| SMILES | CC1=C(C=C(O1)C23CC4CC(C2)CC(C4)C3)C(=O)O |
Product Overview
5-(1-Adamantyl)-2-methyl-3-furoic acid (CAS 669701-31-9), with molecular formula C16H20O3 and molecular weight 260.14 g/mol. IUPAC: 5-(1-adamantyl)-2-methylfuran-3-carboxylic acid.
Chemical Property Profile of 5-(1-Adamantyl)-2-methyl-3-furoic acid
Property Insights of 5-(1-Adamantyl)-2-methyl-3-furoic acid
The XLogP value of 3.75402 indicates that 5-(1-Adamantyl)-2-methyl-3-furoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.44 Ų, 5-(1-Adamantyl)-2-methyl-3-furoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(1-Adamantyl)-2-methyl-3-furoic acid has 1 hydrogen bond donor(s) and 2 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-(1-Adamantyl)-2-methyl-3-furoic acid?
The CAS number of 5-(1-Adamantyl)-2-methyl-3-furoic acid is 669701-31-9.
What is the molecular formula of 5-(1-Adamantyl)-2-methyl-3-furoic acid?
The molecular formula of 5-(1-Adamantyl)-2-methyl-3-furoic acid is C16H20O3.
What is the molecular weight of 5-(1-Adamantyl)-2-methyl-3-furoic acid?
The molecular weight of 5-(1-Adamantyl)-2-methyl-3-furoic acid is 260.14 g/mol.
Where can I buy 5-(1-Adamantyl)-2-methyl-3-furoic acid?
You can request a quote for 5-(1-Adamantyl)-2-methyl-3-furoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1-Adamantyl)-2-methyl-3-furoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(1-Adamantyl)-2-methyl-3-furoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.