Methyl 3-amino-5-nitro-1-benzothiophene-2-carboxylate
TL;DR: Methyl 3-amino-5-nitro-1-benzothiophene-2-carboxylate (CAS 200417-36-3) 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-5-nitro-1-benzothiophene-2-carboxylate
Also Known As: methyl 3-amino-5-nitro-1-benzothiophene-2-carboxylate, Methyl 3-amino-5-nitrobenzo[b]thiophene-2-carboxylate, 2-carbomethoxy-3-amino-5-nitro Methyl 3-amino-5-nitro-1-benzothiophene-2-carboxylate (CAS 200417-36-3), with molecular formula C10H8N2O4S and molecular weight 252.02 g/mol. IUPAC: methyl 3-amino-5-nitro-1-benzothiophene-2-carboxylate.
Molecular Formula
C10H8N2O4S
Molecular Weight
252.02 g/mol
LogP
2.1783
Topological Polar Surface Area
95.46 Ų
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
6
Rotatable Bonds
2
Exact Mass
252.02048
Heavy Atoms
17
Complexity
620.0386
Chemical Identifiers
CAS Number
200417-36-3
SMILES
COC(=O)C1=C(C2=C(S1)C=CC(=C2)[N+](=O)[O-])NProduct Overview
Chemical Property Profile of Methyl 3-amino-5-nitro-1-benzothiophene-2-carboxylate
Property Insights of Methyl 3-amino-5-nitro-1-benzothiophene-2-carboxylate
The XLogP value of 2.1783 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-amino-5-nitro-1-benzothiophene-2-carboxylate. The TPSA of 95.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-amino-5-nitro-1-benzothiophene-2-carboxylate. Following Lipinski's Rule of Five, Methyl 3-amino-5-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-5-nitro-1-benzothiophene-2-carboxylate?
The CAS number of Methyl 3-amino-5-nitro-1-benzothiophene-2-carboxylate is 200417-36-3.
What is the molecular formula of Methyl 3-amino-5-nitro-1-benzothiophene-2-carboxylate?
The molecular formula of Methyl 3-amino-5-nitro-1-benzothiophene-2-carboxylate is C10H8N2O4S.
What is the molecular weight of Methyl 3-amino-5-nitro-1-benzothiophene-2-carboxylate?
The molecular weight of Methyl 3-amino-5-nitro-1-benzothiophene-2-carboxylate is 252.02 g/mol.
Where can I buy Methyl 3-amino-5-nitro-1-benzothiophene-2-carboxylate?
You can request a quote for Methyl 3-amino-5-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-5-nitro-1-benzothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-amino-5-nitro-1-benzothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.