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N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-5-nitrothiophene-2-carboxamide
TL;DR: N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-5-nitrothiophene-2-carboxamide (CAS 477497-99-7) is a chemical compound with molecular formula C14H11N3O3S2 and molecular weight 333.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(2-cyanoethylsulfanyl)phenyl]-5-nitrothiophene-2-carboxamide
Also Known As: AB00685221-01, N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-5-nitrothiophene-2-carboxamide, F0806-0861, N-[2-(2-cyanoethylsulfanyl)phenyl]-5-nitrothiophene-2-carboxamide, N-(2-((2-cyanoethyl)thio)phenyl)-5-nitrothiophene-2-carboxamide
| Molecular Formula | C14H11N3O3S2 |
|---|---|
| Molecular Weight | 333.02 g/mol |
| LogP | 3.91438 |
| Topological Polar Surface Area | 96.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.02417 |
| Heavy Atoms | 22 |
| Complexity | 736.92944 |
Chemical Identifiers
| CAS Number | 477497-99-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)C2=CC=C(S2)[N+](=O)[O-])SCCC#N |
Product Overview
N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-5-nitrothiophene-2-carboxamide (CAS 477497-99-7), with molecular formula C14H11N3O3S2 and molecular weight 333.02 g/mol. IUPAC: N-[2-(2-cyanoethylsulfanyl)phenyl]-5-nitrothiophene-2-carboxamide.
Chemical Property Profile of N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-5-nitrothiophene-2-carboxamide
Property Insights of N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-5-nitrothiophene-2-carboxamide
The XLogP value of 3.91438 indicates that N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-5-nitrothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.03 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-5-nitrothiophene-2-carboxamide. Following Lipinski's Rule of Five, N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-5-nitrothiophene-2-carboxamide 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 N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-5-nitrothiophene-2-carboxamide?
The CAS number of N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-5-nitrothiophene-2-carboxamide is 477497-99-7.
What is the molecular formula of N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-5-nitrothiophene-2-carboxamide?
The molecular formula of N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-5-nitrothiophene-2-carboxamide is C14H11N3O3S2.
What is the molecular weight of N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-5-nitrothiophene-2-carboxamide?
The molecular weight of N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-5-nitrothiophene-2-carboxamide is 333.02 g/mol.
Where can I buy N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-5-nitrothiophene-2-carboxamide?
You can request a quote for N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-5-nitrothiophene-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-{2-[(2-cyanoethyl)sulfanyl]phenyl}-5-nitrothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-5-nitrothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.