N-isopropyl-5-nitro-1-benzothiophene-2-carboxamide
TL;DR: N-isopropyl-5-nitro-1-benzothiophene-2-carboxamide (CAS 478248-45-2) is a chemical compound with molecular formula C12H12N2O3S and molecular weight 264.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-N-propan-2-yl-1-benzothiophene-2-carboxamide
Also Known As: N-isopropyl-5-nitro-1-benzothiophene-2-carboxamide, 5-nitro-N-(propan-2-yl)-1-benzothiophene-2-carboxamide, UPCMLD0ENAT5723658:001, N-isopropyl-5-nitrobenzo[b]thiophene-2-carboxamide, 5-nitro-N-propan-2-yl-1-benzothiophene-2-carboxamide
| Molecular Formula | C12H12N2O3S |
|---|---|
| Molecular Weight | 264.06 g/mol |
| LogP | 2.9477 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.05685 |
| Heavy Atoms | 18 |
| Complexity | 618.8101 |
Chemical Identifiers
| CAS Number | 478248-45-2 |
|---|---|
| SMILES | CC(C)NC(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-] |
Product Overview
N-isopropyl-5-nitro-1-benzothiophene-2-carboxamide (CAS 478248-45-2), with molecular formula C12H12N2O3S and molecular weight 264.06 g/mol. IUPAC: 5-nitro-N-propan-2-yl-1-benzothiophene-2-carboxamide.
Chemical Property Profile of N-isopropyl-5-nitro-1-benzothiophene-2-carboxamide
Property Insights of N-isopropyl-5-nitro-1-benzothiophene-2-carboxamide
The XLogP value of 2.9477 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-isopropyl-5-nitro-1-benzothiophene-2-carboxamide. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for N-isopropyl-5-nitro-1-benzothiophene-2-carboxamide. Following Lipinski's Rule of Five, N-isopropyl-5-nitro-1-benzothiophene-2-carboxamide has 1 hydrogen bond donor(s) and 4 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 N-isopropyl-5-nitro-1-benzothiophene-2-carboxamide?
The CAS number of N-isopropyl-5-nitro-1-benzothiophene-2-carboxamide is 478248-45-2.
What is the molecular formula of N-isopropyl-5-nitro-1-benzothiophene-2-carboxamide?
The molecular formula of N-isopropyl-5-nitro-1-benzothiophene-2-carboxamide is C12H12N2O3S.
What is the molecular weight of N-isopropyl-5-nitro-1-benzothiophene-2-carboxamide?
The molecular weight of N-isopropyl-5-nitro-1-benzothiophene-2-carboxamide is 264.06 g/mol.
Where can I buy N-isopropyl-5-nitro-1-benzothiophene-2-carboxamide?
You can request a quote for N-isopropyl-5-nitro-1-benzothiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-isopropyl-5-nitro-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-isopropyl-5-nitro-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.