F0496-0142
TL;DR: F0496-0142 (CAS 391896-55-2) is a chemical compound with molecular formula C25H22N2O4S2 and molecular weight 478.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-benzoylbenzoyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: F0496-0142, ethyl 2-(3-(4-benzoylbenzoyl)thioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-({[(4-benzoylphenyl)formamido]methanethioyl}amino)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-[(4-benzoylbenzoyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, Ethyl 3-[(4-benzoylbenzoyl)thiocarbamoylamino]-4-thiabicyclo[3.3.0]octa-2,9-diene-2-carboxylate
| Molecular Formula | C25H22N2O4S2 |
|---|---|
| Molecular Weight | 478.10 g/mol |
| LogP | 4.7713 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 478.1021 |
| Heavy Atoms | 33 |
| Complexity | 1217.2089 |
Chemical Identifiers
| CAS Number | 391896-55-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4 |
Product Overview
F0496-0142 (CAS 391896-55-2), with molecular formula C25H22N2O4S2 and molecular weight 478.10 g/mol. IUPAC: ethyl 2-[(4-benzoylbenzoyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of F0496-0142
Property Insights of F0496-0142
The XLogP value of 4.7713 indicates that F0496-0142 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for F0496-0142. Following Lipinski's Rule of Five, F0496-0142 has 2 hydrogen bond donor(s) and 6 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 F0496-0142?
The CAS number of F0496-0142 is 391896-55-2.
What is the molecular formula of F0496-0142?
The molecular formula of F0496-0142 is C25H22N2O4S2.
What is the molecular weight of F0496-0142?
The molecular weight of F0496-0142 is 478.10 g/mol.
Where can I buy F0496-0142?
You can request a quote for F0496-0142 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0496-0142?
Yes, KEHONG BIO provides custom synthesis services for F0496-0142 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.