![methyl 3-amino-4-[(4-chlorophenyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate structure](/static/products/4382/438230-49-0.webp)
methyl 3-amino-4-[(4-chlorophenyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate
TL;DR: methyl 3-amino-4-[(4-chlorophenyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate (CAS 438230-49-0) is a chemical compound with molecular formula C16H11ClN2O4S2 and molecular weight 393.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-amino-4-(4-chlorophenyl)sulfanyl-6-nitro-1-benzothiophene-2-carboxylate
Also Known As: methyl 3-amino-4-[(4-chlorophenyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate, methyl 3-amino-4-(4-chlorophenyl)sulfanyl-6-nitro-1-benzothiophene-2-carboxylate, methyl 3-amino-4-((4-chlorophenyl)thio)-6-nitrobenzo[b]thiophene-2-carboxylate
| Molecular Formula | C16H11ClN2O4S2 |
|---|---|
| Molecular Weight | 393.98 g/mol |
| LogP | 4.9829 |
| Topological Polar Surface Area | 95.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.98486 |
| Heavy Atoms | 25 |
| Complexity | 985.95856 |
Chemical Identifiers
| CAS Number | 438230-49-0 |
|---|---|
| SMILES | COC(=O)C1=C(C2=C(S1)C=C(C=C2SC3=CC=C(C=C3)Cl)[N+](=O)[O-])N |
Product Overview
methyl 3-amino-4-[(4-chlorophenyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate (CAS 438230-49-0), with molecular formula C16H11ClN2O4S2 and molecular weight 393.98 g/mol. IUPAC: methyl 3-amino-4-(4-chlorophenyl)sulfanyl-6-nitro-1-benzothiophene-2-carboxylate.
Chemical Property Profile of methyl 3-amino-4-[(4-chlorophenyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate
Property Insights of methyl 3-amino-4-[(4-chlorophenyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate
The XLogP value of 4.9829 indicates that methyl 3-amino-4-[(4-chlorophenyl)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 methyl 3-amino-4-[(4-chlorophenyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate. Following Lipinski's Rule of Five, methyl 3-amino-4-[(4-chlorophenyl)sulfanyl]-6-nitro-1-benzothiophene-2-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 methyl 3-amino-4-[(4-chlorophenyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate?
The CAS number of methyl 3-amino-4-[(4-chlorophenyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate is 438230-49-0.
What is the molecular formula of methyl 3-amino-4-[(4-chlorophenyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate?
The molecular formula of methyl 3-amino-4-[(4-chlorophenyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate is C16H11ClN2O4S2.
What is the molecular weight of methyl 3-amino-4-[(4-chlorophenyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate?
The molecular weight of methyl 3-amino-4-[(4-chlorophenyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate is 393.98 g/mol.
Where can I buy methyl 3-amino-4-[(4-chlorophenyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate?
You can request a quote for methyl 3-amino-4-[(4-chlorophenyl)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-amino-4-[(4-chlorophenyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-amino-4-[(4-chlorophenyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.