methyl 4,6-dinitro-3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate
TL;DR: methyl 4,6-dinitro-3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate (CAS 438230-25-2) is a chemical compound with molecular formula C14H9N3O6S and molecular weight 347.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,6-dinitro-3-pyrrol-1-yl-1-benzothiophene-2-carboxylate
Also Known As: methyl 4,6-dinitro-3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate, Methyl 4,6-dinitro-3-pyrrol-1-yl-benzothiophene-2-carboxylate, methyl 4,6-dinitro-3-pyrrol-1-yl-1-benzothiophene-2-carboxylate, methyl 4,6-dinitro-3-(1H-pyrrol-1-yl)benzo[b]thiophene-2-carboxylate
| Molecular Formula | C14H9N3O6S |
|---|---|
| Molecular Weight | 347.02 g/mol |
| LogP | 3.295 |
| Topological Polar Surface Area | 117.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.0212 |
| Heavy Atoms | 24 |
| Complexity | 976.2246 |
Chemical Identifiers
| CAS Number | 438230-25-2 |
|---|---|
| SMILES | COC(=O)C1=C(C2=C(C=C(C=C2S1)[N+](=O)[O-])[N+](=O)[O-])N3C=CC=C3 |
Product Overview
methyl 4,6-dinitro-3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate (CAS 438230-25-2), with molecular formula C14H9N3O6S and molecular weight 347.02 g/mol. IUPAC: methyl 4,6-dinitro-3-pyrrol-1-yl-1-benzothiophene-2-carboxylate.
Chemical Property Profile of methyl 4,6-dinitro-3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate
Property Insights of methyl 4,6-dinitro-3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate
The XLogP value of 3.295 indicates that methyl 4,6-dinitro-3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.51 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4,6-dinitro-3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate. Following Lipinski's Rule of Five, methyl 4,6-dinitro-3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate has 0 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 4,6-dinitro-3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate?
The CAS number of methyl 4,6-dinitro-3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate is 438230-25-2.
What is the molecular formula of methyl 4,6-dinitro-3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate?
The molecular formula of methyl 4,6-dinitro-3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate is C14H9N3O6S.
What is the molecular weight of methyl 4,6-dinitro-3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate?
The molecular weight of methyl 4,6-dinitro-3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate is 347.02 g/mol.
Where can I buy methyl 4,6-dinitro-3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate?
You can request a quote for methyl 4,6-dinitro-3-(1H-pyrrol-1-yl)-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 4,6-dinitro-3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4,6-dinitro-3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.