![[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate structure](/static/products/3801/380161-75-1.webp)
[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
TL;DR: [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate (CAS 380161-75-1) is a chemical compound with molecular formula C23H19N3O3S2 and molecular weight 449.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
Also Known As: [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate, {[4-(6-METHYL-1,3-BENZOTHIAZOL-2-YL)PHENYL]CARBAMOYL}METHYL 2-(METHYLSULFANYL)PYRIDINE-3-CARBOXYLATE
| Molecular Formula | C23H19N3O3S2 |
|---|---|
| Molecular Weight | 449.09 g/mol |
| LogP | 5.18412 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.0868 |
| Heavy Atoms | 31 |
| Complexity | 1252.659 |
Chemical Identifiers
| CAS Number | 380161-75-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)COC(=O)C4=C(N=CC=C4)SC |
Product Overview
[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate (CAS 380161-75-1), with molecular formula C23H19N3O3S2 and molecular weight 449.09 g/mol. IUPAC: [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
Property Insights of [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
The XLogP value of 5.18412 indicates that [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate. Following Lipinski's Rule of Five, [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate?
The CAS number of [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate is 380161-75-1.
What is the molecular formula of [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate?
The molecular formula of [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate is C23H19N3O3S2.
What is the molecular weight of [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate?
The molecular weight of [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate is 449.09 g/mol.
Where can I buy [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate?
You can request a quote for [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.