starbld0006439
TL;DR: starbld0006439 (CAS 438596-90-8) is a chemical compound with molecular formula C17H19N3O5S2 and molecular weight 409.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
Also Known As: starbld0006439, AB00713826-01, 2-((3-(N,N-Dimethylsulfamoyl)phenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate, [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate, {[3-(dimethylsulfamoyl)phenyl]carbamoyl}methyl 2-(methylsulfanyl)pyridine-3-carboxylate
| Molecular Formula | C17H19N3O5S2 |
|---|---|
| Molecular Weight | 409.08 g/mol |
| LogP | 1.8493 |
| Topological Polar Surface Area | 105.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 409.0766 |
| Heavy Atoms | 27 |
| Complexity | 945.08997 |
Chemical Identifiers
| CAS Number | 438596-90-8 |
|---|---|
| SMILES | CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)C2=C(N=CC=C2)SC |
Product Overview
starbld0006439 (CAS 438596-90-8), with molecular formula C17H19N3O5S2 and molecular weight 409.08 g/mol. IUPAC: [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of starbld0006439
Property Insights of starbld0006439
The XLogP value of 1.8493 suggests moderate lipophilicity, balancing water solubility and membrane permeability for starbld0006439. The TPSA of 105.67 Ų falls within the moderate polarity range, balancing permeability and solubility for starbld0006439. Following Lipinski's Rule of Five, starbld0006439 has 1 hydrogen bond donor(s) and 7 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 starbld0006439?
The CAS number of starbld0006439 is 438596-90-8.
What is the molecular formula of starbld0006439?
The molecular formula of starbld0006439 is C17H19N3O5S2.
What is the molecular weight of starbld0006439?
The molecular weight of starbld0006439 is 409.08 g/mol.
Where can I buy starbld0006439?
You can request a quote for starbld0006439 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for starbld0006439?
Yes, KEHONG BIO provides custom synthesis services for starbld0006439 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.