(2,3,6-Trimethylphenyl) furan-2-carboxylate
TL;DR: (2,3,6-Trimethylphenyl) furan-2-carboxylate (CAS 6598-86-3) is a chemical compound with molecular formula C14H14O3 and molecular weight 230.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,6-trimethylphenyl) furan-2-carboxylate
Also Known As: (2,3,6-trimethylphenyl) furan-2-carboxylate, 2,3,6-trimethylphenyl furan-2-carboxylate, AB01324977-02, Cyclohexanesulfamic acid, compd. with m-hydroxy-.alpha.-[(methylamino)methyl]benzyl alcohol (1:1), (-)-, Sulfamic acid, cyclohexyl-, compd. with (R)-3-hydroxy-.alpha.-[(methylamino)methyl]benzenemethanol (1:1)
| Molecular Formula | C14H14O3 |
|---|---|
| Molecular Weight | 230.09 g/mol |
| LogP | 3.42406 |
| Topological Polar Surface Area | 39.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.0943 |
| Heavy Atoms | 17 |
| Complexity | 538.84503 |
Chemical Identifiers
| CAS Number | 6598-86-3 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C)OC(=O)C2=CC=CO2)C |
Product Overview
(2,3,6-Trimethylphenyl) furan-2-carboxylate (CAS 6598-86-3), with molecular formula C14H14O3 and molecular weight 230.09 g/mol. IUPAC: (2,3,6-trimethylphenyl) furan-2-carboxylate.
Chemical Property Profile of (2,3,6-Trimethylphenyl) furan-2-carboxylate
Property Insights of (2,3,6-Trimethylphenyl) furan-2-carboxylate
The XLogP value of 3.42406 indicates that (2,3,6-Trimethylphenyl) furan-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.44 Ų, (2,3,6-Trimethylphenyl) furan-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,3,6-Trimethylphenyl) furan-2-carboxylate has 0 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 (2,3,6-Trimethylphenyl) furan-2-carboxylate?
The CAS number of (2,3,6-Trimethylphenyl) furan-2-carboxylate is 6598-86-3.
What is the molecular formula of (2,3,6-Trimethylphenyl) furan-2-carboxylate?
The molecular formula of (2,3,6-Trimethylphenyl) furan-2-carboxylate is C14H14O3.
What is the molecular weight of (2,3,6-Trimethylphenyl) furan-2-carboxylate?
The molecular weight of (2,3,6-Trimethylphenyl) furan-2-carboxylate is 230.09 g/mol.
Where can I buy (2,3,6-Trimethylphenyl) furan-2-carboxylate?
You can request a quote for (2,3,6-Trimethylphenyl) furan-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,3,6-Trimethylphenyl) furan-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (2,3,6-Trimethylphenyl) furan-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.