Maybridge1_002221
TL;DR: Maybridge1_002221 (CAS 247565-46-4) is a chemical compound with molecular formula C12H13F3N2O3S2 and molecular weight 354.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(carbamothioylamino)-thiophen-3-ylmethyl]-4,4,4-trifluoro-3-oxobutanoate
Also Known As: Maybridge1_002221, 4,4,4-Trifluoro-2-(isothioureido-thiophen-3-yl-methyl)-3-oxo-butyric acid ethyl ester, BRD-A80349786-001-01-9, ethyl 2-[(carbamothioylamino)-thiophen-3-ylmethyl]-4,4,4-trifluoro-3-oxobutanoate, N-(2-(ethoxycarbonyl)-4,4,4-trifluoro-3-oxo-1-(thiophen-3-yl)butyl)carbamimidothioic acid
| Molecular Formula | C12H13F3N2O3S2 |
|---|---|
| Molecular Weight | 354.03 g/mol |
| LogP | 1.9331 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.03198 |
| Heavy Atoms | 22 |
| Complexity | 546.3114 |
Chemical Identifiers
| CAS Number | 247565-46-4 |
|---|---|
| SMILES | CCOC(=O)C(C(C1=CSC=C1)NC(=S)N)C(=O)C(F)(F)F |
Product Overview
Maybridge1_002221 (CAS 247565-46-4), with molecular formula C12H13F3N2O3S2 and molecular weight 354.03 g/mol. IUPAC: ethyl 2-[(carbamothioylamino)-thiophen-3-ylmethyl]-4,4,4-trifluoro-3-oxobutanoate.
Chemical Property Profile of Maybridge1_002221
Property Insights of Maybridge1_002221
The XLogP value of 1.9331 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Maybridge1_002221. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for Maybridge1_002221. Following Lipinski's Rule of Five, Maybridge1_002221 has 2 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 Maybridge1_002221?
The CAS number of Maybridge1_002221 is 247565-46-4.
What is the molecular formula of Maybridge1_002221?
The molecular formula of Maybridge1_002221 is C12H13F3N2O3S2.
What is the molecular weight of Maybridge1_002221?
The molecular weight of Maybridge1_002221 is 354.03 g/mol.
Where can I buy Maybridge1_002221?
You can request a quote for Maybridge1_002221 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Maybridge1_002221?
Yes, KEHONG BIO provides custom synthesis services for Maybridge1_002221 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.