ChemDiv1_014342
TL;DR: ChemDiv1_014342 (CAS 393817-71-5) is a chemical compound with molecular formula C25H28FN5O6S2 and molecular weight 577.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[2-[[5-[[(3-fluorobenzoyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: ChemDiv1_014342, F0520-3355, diethyl 5-(2-((5-((3-fluorobenzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)propanamido)-3-methylthiophene-2,4-dicarboxylate, 2,4-DIETHYL 5-{2-[(5-{[(3-FLUOROPHENYL)FORMAMIDO]METHYL}-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]PROPANAMIDO}-3-METHYLTHIOPHENE-2,4-DICARBOXYLATE, diethyl 5-[2-[[5-[[(3-fluorobenzoyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C25H28FN5O6S2 |
|---|---|
| Molecular Weight | 577.15 g/mol |
| LogP | 3.72682 |
| Topological Polar Surface Area | 141.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 577.1465 |
| Heavy Atoms | 39 |
| Complexity | 1389.1853 |
Chemical Identifiers
| CAS Number | 393817-71-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C)SC2=NN=C(N2C)CNC(=O)C3=CC(=CC=C3)F |
Product Overview
ChemDiv1_014342 (CAS 393817-71-5), with molecular formula C25H28FN5O6S2 and molecular weight 577.15 g/mol. IUPAC: diethyl 5-[2-[[5-[[(3-fluorobenzoyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of ChemDiv1_014342
Property Insights of ChemDiv1_014342
The XLogP value of 3.72682 indicates that ChemDiv1_014342 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.51 Ų indicates high polarity, suggesting ChemDiv1_014342 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_014342 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_014342?
The CAS number of ChemDiv1_014342 is 393817-71-5.
What is the molecular formula of ChemDiv1_014342?
The molecular formula of ChemDiv1_014342 is C25H28FN5O6S2.
What is the molecular weight of ChemDiv1_014342?
The molecular weight of ChemDiv1_014342 is 577.15 g/mol.
Where can I buy ChemDiv1_014342?
You can request a quote for ChemDiv1_014342 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014342?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014342 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.