![methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate structure](/static/products/4449/444905-45-7.webp)
methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate
TL;DR: methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate (CAS 444905-45-7) is a chemical compound with molecular formula C24H22ClNO4S and molecular weight 455.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate
Also Known As: methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate, methyl 2-{[2-(4-chlorophenoxy)-2-methylpropanoyl]amino}-4,5-dihydronaphtho[2,1-b]thiophene-1-carboxylate, METHYL 2-[2-(4-CHLOROPHENOXY)-2-METHYLPROPANAMIDO]-4H,5H-NAPHTHO[2,1-B]THIOPHENE-1-CARBOXYLATE, methyl 2-[2-(4-chlorophenoxy)-2-methylpropanoylamino]-4,5-dihydrobenzo[e]benzo [b]thiophenecarboxylate
| Molecular Formula | C24H22ClNO4S |
|---|---|
| Molecular Weight | 455.10 g/mol |
| LogP | 5.7498 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.0958 |
| Heavy Atoms | 31 |
| Complexity | 1150.886 |
Chemical Identifiers
| CAS Number | 444905-45-7 |
|---|---|
| SMILES | CC(C)(C(=O)NC1=C(C2=C(S1)CCC3=CC=CC=C32)C(=O)OC)OC4=CC=C(C=C4)Cl |
Product Overview
methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate (CAS 444905-45-7), with molecular formula C24H22ClNO4S and molecular weight 455.10 g/mol. IUPAC: methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate.
Chemical Property Profile of methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate
Property Insights of methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate
The XLogP value of 5.7498 indicates that methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate. Following Lipinski's Rule of Five, methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate?
The CAS number of methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate is 444905-45-7.
What is the molecular formula of methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate?
The molecular formula of methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate is C24H22ClNO4S.
What is the molecular weight of methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate?
The molecular weight of methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate is 455.10 g/mol.
Where can I buy methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate?
You can request a quote for methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.