![methyl 3-(acetylamino)-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate structure](/static/products/4382/438231-33-5.webp)
methyl 3-(acetylamino)-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate
TL;DR: methyl 3-(acetylamino)-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate (CAS 438231-33-5) is a chemical compound with molecular formula C19H15ClN2O5S2 and molecular weight 450.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-acetamido-4-[(4-chlorophenyl)methylsulfanyl]-6-nitro-1-benzothiophene-2-carboxylate
Also Known As: methyl 3-(acetylamino)-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate, methyl 3-acetamido-4-[(4-chlorophenyl)methylsulfanyl]-6-nitro-1-benzothiophene-2-carboxylate, methyl 3-acetamido-4-((4-chlorobenzyl)thio)-6-nitrobenzo[b]thiophene-2-carboxylate
| Molecular Formula | C19H15ClN2O5S2 |
|---|---|
| Molecular Weight | 450.01 g/mol |
| LogP | 5.5002 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.01108 |
| Heavy Atoms | 29 |
| Complexity | 1111.9801 |
Chemical Identifiers
| CAS Number | 438231-33-5 |
|---|---|
| SMILES | CC(=O)NC1=C(SC2=C1C(=CC(=C2)[N+](=O)[O-])SCC3=CC=C(C=C3)Cl)C(=O)OC |
Product Overview
methyl 3-(acetylamino)-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate (CAS 438231-33-5), with molecular formula C19H15ClN2O5S2 and molecular weight 450.01 g/mol. IUPAC: methyl 3-acetamido-4-[(4-chlorophenyl)methylsulfanyl]-6-nitro-1-benzothiophene-2-carboxylate.
Chemical Property Profile of methyl 3-(acetylamino)-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate
Property Insights of methyl 3-(acetylamino)-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate
The XLogP value of 5.5002 indicates that methyl 3-(acetylamino)-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(acetylamino)-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate. Following Lipinski's Rule of Five, methyl 3-(acetylamino)-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-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 methyl 3-(acetylamino)-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate?
The CAS number of methyl 3-(acetylamino)-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate is 438231-33-5.
What is the molecular formula of methyl 3-(acetylamino)-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate?
The molecular formula of methyl 3-(acetylamino)-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate is C19H15ClN2O5S2.
What is the molecular weight of methyl 3-(acetylamino)-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate?
The molecular weight of methyl 3-(acetylamino)-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate is 450.01 g/mol.
Where can I buy methyl 3-(acetylamino)-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate?
You can request a quote for methyl 3-(acetylamino)-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-(acetylamino)-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(acetylamino)-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.