1E-037
TL;DR: 1E-037 (CAS 320417-60-5) is a chemical compound with molecular formula C19H14F3NO5S and molecular weight 425.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[5-[[3-(trifluoromethyl)phenyl]carbamoyloxymethyl]furan-2-yl]thiophene-2-carboxylate
Also Known As: 1E-037, Methyl3-(5-((((3-(trifluoromethyl)anilino)carbonyl)oxy)methyl)-2-furyl)-2-thiophenecarboxylate, methyl 3-[5-[[3-(trifluoromethyl)phenyl]carbamoyloxymethyl]furan-2-yl]thiophene-2-carboxylate, Methyl 3-[5-[[3-(trifluoromethyl)phenyl]carbamoyloxymethyl]-2-furyl]thiophene-2-carboxylate, methyl 3-{5-[({[3-(trifluoromethyl)anilino]carbonyl}oxy)methyl]-2-furyl}-2-thiophenecarboxylate
| Molecular Formula | C19H14F3NO5S |
|---|---|
| Molecular Weight | 425.05 g/mol |
| LogP | 5.5622 |
| Topological Polar Surface Area | 77.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.05447 |
| Heavy Atoms | 29 |
| Complexity | 1024.7787 |
Chemical Identifiers
| CAS Number | 320417-60-5 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)C2=CC=C(O2)COC(=O)NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
1E-037 (CAS 320417-60-5), with molecular formula C19H14F3NO5S and molecular weight 425.05 g/mol. IUPAC: methyl 3-[5-[[3-(trifluoromethyl)phenyl]carbamoyloxymethyl]furan-2-yl]thiophene-2-carboxylate.
Chemical Property Profile of 1E-037
Property Insights of 1E-037
The XLogP value of 5.5622 indicates that 1E-037 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 1E-037. Following Lipinski's Rule of Five, 1E-037 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1E-037?
The CAS number of 1E-037 is 320417-60-5.
What is the molecular formula of 1E-037?
The molecular formula of 1E-037 is C19H14F3NO5S.
What is the molecular weight of 1E-037?
The molecular weight of 1E-037 is 425.05 g/mol.
Where can I buy 1E-037?
You can request a quote for 1E-037 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1E-037?
Yes, KEHONG BIO provides custom synthesis services for 1E-037 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.