Methyl 3-amino-6-nitro-1-benzothiophene-2-carboxylate
TL;DR: Methyl 3-amino-6-nitro-1-benzothiophene-2-carboxylate (CAS 35212-90-9) is a chemical compound with molecular formula C10H8N2O4S and molecular weight 252.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-amino-6-nitro-1-benzothiophene-2-carboxylate
Also Known As: Methyl 3-amino-6-nitro-1-benzothiophene-2-carboxylate, methyl 3-amino-6-nitrobenzo[b]thiophene-2-carboxylate, ZERO/001711, CBI-BB ZERO/001711, 1299AE
| Molecular Formula | C10H8N2O4S |
|---|---|
| Molecular Weight | 252.02 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.02048 |
| Heavy Atoms | 17 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 35212-90-9 |
|---|---|
| SMILES | COC(=O)C1=C(C2=C(S1)C=C(C=C2)[N+](=O)[O-])N |
| InChIKey | AVWYTSRBVOQDRA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-amino-6-nitro-1-benzothiophene-2-carboxylate (CAS 35212-90-9), with molecular formula C10H8N2O4S and molecular weight 252.02 g/mol. IUPAC: methyl 3-amino-6-nitro-1-benzothiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-amino-6-nitro-1-benzothiophene-2-carboxylate
Property Insights of Methyl 3-amino-6-nitro-1-benzothiophene-2-carboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-amino-6-nitro-1-benzothiophene-2-carboxylate. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-amino-6-nitro-1-benzothiophene-2-carboxylate. Following Lipinski's Rule of Five, Methyl 3-amino-6-nitro-1-benzothiophene-2-carboxylate has 1 hydrogen bond donor(s) and 6 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-6-nitro-1-benzothiophene-2-carboxylate?
The CAS number of Methyl 3-amino-6-nitro-1-benzothiophene-2-carboxylate is 35212-90-9.
What is the molecular formula of Methyl 3-amino-6-nitro-1-benzothiophene-2-carboxylate?
The molecular formula of Methyl 3-amino-6-nitro-1-benzothiophene-2-carboxylate is C10H8N2O4S.
What is the molecular weight of Methyl 3-amino-6-nitro-1-benzothiophene-2-carboxylate?
The molecular weight of Methyl 3-amino-6-nitro-1-benzothiophene-2-carboxylate is 252.02 g/mol.
Where can I buy Methyl 3-amino-6-nitro-1-benzothiophene-2-carboxylate?
You can request a quote for Methyl 3-amino-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-6-nitro-1-benzothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-amino-6-nitro-1-benzothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.