Methyl 5-(anilinomethyl)-2-furoate
TL;DR: Methyl 5-(anilinomethyl)-2-furoate (CAS 444065-52-5) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(anilinomethyl)furan-2-carboxylate
Also Known As: METHYL 5-(ANILINOMETHYL)-2-FUROATE, methyl 5-(anilinomethyl)furan-2-carboxylate, methyl 5-((phenylamino)methyl)furan-2-carboxylate, methyl 5-[(phenylamino)methyl]furan-2-carboxylate, BAS 08301314
| Molecular Formula | C13H13NO3 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 51.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 231.08954 |
| Heavy Atoms | 17 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 444065-52-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(O1)CNC2=CC=CC=C2 |
| InChIKey | LLABZWGUDALVPM-UHFFFAOYSA-N |
Product Overview
Methyl 5-(anilinomethyl)-2-furoate (CAS 444065-52-5), with molecular formula C13H13NO3 and molecular weight 231.09 g/mol. IUPAC: methyl 5-(anilinomethyl)furan-2-carboxylate.
Chemical Property Profile of Methyl 5-(anilinomethyl)-2-furoate
Property Insights of Methyl 5-(anilinomethyl)-2-furoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-(anilinomethyl)-2-furoate. With a topological polar surface area (TPSA) of 51.5 Ų, Methyl 5-(anilinomethyl)-2-furoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-(anilinomethyl)-2-furoate 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 Methyl 5-(anilinomethyl)-2-furoate?
The CAS number of Methyl 5-(anilinomethyl)-2-furoate is 444065-52-5.
What is the molecular formula of Methyl 5-(anilinomethyl)-2-furoate?
The molecular formula of Methyl 5-(anilinomethyl)-2-furoate is C13H13NO3.
What is the molecular weight of Methyl 5-(anilinomethyl)-2-furoate?
The molecular weight of Methyl 5-(anilinomethyl)-2-furoate is 231.09 g/mol.
Where can I buy Methyl 5-(anilinomethyl)-2-furoate?
You can request a quote for Methyl 5-(anilinomethyl)-2-furoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-(anilinomethyl)-2-furoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-(anilinomethyl)-2-furoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.