![ethyl 3-amino-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate structure](/static/products/4382/438212-43-2.webp)
ethyl 3-amino-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate
TL;DR: ethyl 3-amino-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate (CAS 438212-43-2) is a chemical compound with molecular formula C18H15ClN2O4S2 and molecular weight 422.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-4-[(4-chlorophenyl)methylsulfanyl]-6-nitro-1-benzothiophene-2-carboxylate
Also Known As: ethyl 3-amino-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate, Ethyl 3-amino-4-[[(4-chlorophenyl)methyl]thio]-6-nitrobenzo[b]thiophene-2-carboxylate, ethyl 3-amino-4-[(4-chlorophenyl)methylsulfanyl]-6-nitro-1-benzothiophene-2-carboxylate, Ethyl 3-amino-4-(((4-chlorophenyl)methyl)thio)-6-nitrobenzo(b)thiophene-2-carboxylate, ETHYL 3-AMINO-4-{[(4-CHLOROPHENYL)METHYL]SULFANYL}-6-NITRO-1-BENZOTHIOPHENE-2-CARBOXYLATE
| Molecular Formula | C18H15ClN2O4S2 |
|---|---|
| Molecular Weight | 422.02 g/mol |
| LogP | 5.5141 |
| Topological Polar Surface Area | 95.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.01617 |
| Heavy Atoms | 27 |
| Complexity | 1018.3687 |
Chemical Identifiers
| CAS Number | 438212-43-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(S1)C=C(C=C2SCC3=CC=C(C=C3)Cl)[N+](=O)[O-])N |
Product Overview
ethyl 3-amino-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate (CAS 438212-43-2), with molecular formula C18H15ClN2O4S2 and molecular weight 422.02 g/mol. IUPAC: ethyl 3-amino-4-[(4-chlorophenyl)methylsulfanyl]-6-nitro-1-benzothiophene-2-carboxylate.
Chemical Property Profile of ethyl 3-amino-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate
Property Insights of ethyl 3-amino-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate
The XLogP value of 5.5141 indicates that ethyl 3-amino-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 95.46 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-amino-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate. Following Lipinski's Rule of Five, ethyl 3-amino-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 ethyl 3-amino-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate?
The CAS number of ethyl 3-amino-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate is 438212-43-2.
What is the molecular formula of ethyl 3-amino-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate?
The molecular formula of ethyl 3-amino-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate is C18H15ClN2O4S2.
What is the molecular weight of ethyl 3-amino-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate?
The molecular weight of ethyl 3-amino-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate is 422.02 g/mol.
Where can I buy ethyl 3-amino-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate?
You can request a quote for ethyl 3-amino-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 ethyl 3-amino-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-amino-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.