ChemDiv1_005284
TL;DR: ChemDiv1_005284 (CAS 6125-76-4) is a chemical compound with molecular formula C26H28N2O4S2 and molecular weight 496.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(diethylcarbamoyl)-4-methyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate
Also Known As: ChemDiv1_005284, BIM-0049409.P001, methyl 5-(diethylcarbamoyl)-4-methyl-2-[(2-phenyl-2-phenylsulfanyl-acetyl)amino]thiophene-3-carboxylate, methyl 5-(diethylcarbamoyl)-4-methyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate, methyl 5-[(diethylamino)carbonyl]-4-methyl-2-{[phenyl(phenylthio)acetyl]amino}-3-thiophenecarboxylate
| Molecular Formula | C26H28N2O4S2 |
|---|---|
| Molecular Weight | 496.15 g/mol |
| LogP | 5.79722 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 496.14905 |
| Heavy Atoms | 34 |
| Complexity | 1142.3672 |
Chemical Identifiers
| CAS Number | 6125-76-4 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)C(=O)OC)C |
Product Overview
ChemDiv1_005284 (CAS 6125-76-4), with molecular formula C26H28N2O4S2 and molecular weight 496.15 g/mol. IUPAC: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_005284
Property Insights of ChemDiv1_005284
The XLogP value of 5.79722 indicates that ChemDiv1_005284 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005284. Following Lipinski's Rule of Five, ChemDiv1_005284 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 ChemDiv1_005284?
The CAS number of ChemDiv1_005284 is 6125-76-4.
What is the molecular formula of ChemDiv1_005284?
The molecular formula of ChemDiv1_005284 is C26H28N2O4S2.
What is the molecular weight of ChemDiv1_005284?
The molecular weight of ChemDiv1_005284 is 496.15 g/mol.
Where can I buy ChemDiv1_005284?
You can request a quote for ChemDiv1_005284 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005284?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005284 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.