![[2-[[3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate structure](/static/products/5711/571160-18-4.webp)
[2-[[3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
TL;DR: [2-[[3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate (CAS 571160-18-4) is a chemical compound with molecular formula C24H21ClN2O4S and molecular weight 468.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[[3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
Also Known As: [2-[[3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate|{[3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}methyl 2-chloropyridine-3-carboxylate|EN300-26620969
| Molecular Formula | C24H21ClN2O4S |
|---|---|
| Molecular Weight | 468.09 g/mol |
| LogP | 5.01022 |
| Topological Polar Surface Area | 85.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 468.09106 |
| Heavy Atoms | 32 |
| Complexity | 1187.21 |
Chemical Identifiers
| CAS Number | 571160-18-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C2=C(SC3=C2CCCC3)NC(=O)COC(=O)C4=C(N=CC=C4)Cl |
Product Overview
[2-[[3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate (CAS 571160-18-4), with molecular formula C24H21ClN2O4S and molecular weight 468.09 g/mol. IUPAC: [2-[[3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate.
Chemical Property Profile of [2-[[3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
Property Insights of [2-[[3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
The XLogP value of 5.01022 indicates that [2-[[3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.36 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[[3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate. Following Lipinski's Rule of Five, [2-[[3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate 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 [2-[[3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate?
The CAS number of [2-[[3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate is 571160-18-4.
What is the molecular formula of [2-[[3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate?
The molecular formula of [2-[[3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate is C24H21ClN2O4S.
What is the molecular weight of [2-[[3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate?
The molecular weight of [2-[[3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate is 468.09 g/mol.
Where can I buy [2-[[3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate?
You can request a quote for [2-[[3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] 2-chloropyridine-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-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [2-[[3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.