F5086-0074
TL;DR: F5086-0074 (CAS 514220-19-0) is a chemical compound with molecular formula C17H21N3O3S and molecular weight 347.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: F5086-0074, ethyl 6-methyl-2-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 6-methyl-2-(1-methyl-1H-pyrazole-5-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 6-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C17H21N3O3S |
|---|---|
| Molecular Weight | 347.13 g/mol |
| LogP | 3.0354 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.13037 |
| Heavy Atoms | 24 |
| Complexity | 778.13794 |
Chemical Identifiers
| CAS Number | 514220-19-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC=NN3C |
Product Overview
F5086-0074 (CAS 514220-19-0), with molecular formula C17H21N3O3S and molecular weight 347.13 g/mol. IUPAC: ethyl 6-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of F5086-0074
Property Insights of F5086-0074
The XLogP value of 3.0354 indicates that F5086-0074 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for F5086-0074. Following Lipinski's Rule of Five, F5086-0074 has 1 hydrogen bond donor(s) and 5 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 F5086-0074?
The CAS number of F5086-0074 is 514220-19-0.
What is the molecular formula of F5086-0074?
The molecular formula of F5086-0074 is C17H21N3O3S.
What is the molecular weight of F5086-0074?
The molecular weight of F5086-0074 is 347.13 g/mol.
Where can I buy F5086-0074?
You can request a quote for F5086-0074 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F5086-0074?
Yes, KEHONG BIO provides custom synthesis services for F5086-0074 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.