![[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate structure](/static/products/4750/475055-10-8.webp)
[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
TL;DR: [2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate (CAS 475055-10-8) is a chemical compound with molecular formula C22H27N3O5S2 and molecular weight 477.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
Also Known As: [2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate|[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbamoylmethyl 2-methylsulfanylpyridine-3-carboxylate|{[3-(AZEPANE-1-SULFONYL)-4-METHYLPHENYL]CARBAMOYL}METHYL 2-(METHYLSULFANYL)PYRIDINE-3-CARBOXYLATE|EN300-26613493
| Molecular Formula | C22H27N3O5S2 |
|---|---|
| Molecular Weight | 477.14 g/mol |
| LogP | 3.47212 |
| Topological Polar Surface Area | 105.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 477.13922 |
| Heavy Atoms | 32 |
| Complexity | 1080.7239 |
Chemical Identifiers
| CAS Number | 475055-10-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(N=CC=C2)SC)S(=O)(=O)N3CCCCCC3 |
Product Overview
[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate (CAS 475055-10-8), with molecular formula C22H27N3O5S2 and molecular weight 477.14 g/mol. IUPAC: [2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of [2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
Property Insights of [2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
The XLogP value of 3.47212 indicates that [2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.67 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate. Following Lipinski's Rule of Five, [2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate 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 [2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate?
The CAS number of [2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate is 475055-10-8.
What is the molecular formula of [2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate?
The molecular formula of [2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate is C22H27N3O5S2.
What is the molecular weight of [2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate?
The molecular weight of [2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate is 477.14 g/mol.
Where can I buy [2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate?
You can request a quote for [2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-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-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.