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N-benzo[e][1,3]benzothiazol-2-yl-5-nitrothiophene-2-carboxamide
TL;DR: N-benzo[e][1,3]benzothiazol-2-yl-5-nitrothiophene-2-carboxamide (CAS 324759-11-7) is a chemical compound with molecular formula C16H9N3O3S2 and molecular weight 355.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzo[e][1,3]benzothiazol-2-yl-5-nitrothiophene-2-carboxamide
Also Known As: AB00666878-01, F0098-0413, N-(naphtho[1,2-d]thiazol-2-yl)-5-nitrothiophene-2-carboxamide, N-{NAPHTHO[1,2-D][1,3]THIAZOL-2-YL}-5-NITROTHIOPHENE-2-CARBOXAMIDE, N-benzo[e][1,3]benzothiazol-2-yl-5-nitrothiophene-2-carboxamide
| Molecular Formula | C16H9N3O3S2 |
|---|---|
| Molecular Weight | 355.01 g/mol |
| LogP | 4.6715 |
| Topological Polar Surface Area | 85.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.00854 |
| Heavy Atoms | 24 |
| Complexity | 1100.2968 |
Chemical Identifiers
| CAS Number | 324759-11-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C2N=C(S3)NC(=O)C4=CC=C(S4)[N+](=O)[O-] |
Product Overview
N-benzo[e][1,3]benzothiazol-2-yl-5-nitrothiophene-2-carboxamide (CAS 324759-11-7), with molecular formula C16H9N3O3S2 and molecular weight 355.01 g/mol. IUPAC: N-benzo[e][1,3]benzothiazol-2-yl-5-nitrothiophene-2-carboxamide.
Chemical Property Profile of N-benzo[e][1,3]benzothiazol-2-yl-5-nitrothiophene-2-carboxamide
Property Insights of N-benzo[e][1,3]benzothiazol-2-yl-5-nitrothiophene-2-carboxamide
The XLogP value of 4.6715 indicates that N-benzo[e][1,3]benzothiazol-2-yl-5-nitrothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.13 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzo[e][1,3]benzothiazol-2-yl-5-nitrothiophene-2-carboxamide. Following Lipinski's Rule of Five, N-benzo[e][1,3]benzothiazol-2-yl-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-benzo[e][1,3]benzothiazol-2-yl-5-nitrothiophene-2-carboxamide?
The CAS number of N-benzo[e][1,3]benzothiazol-2-yl-5-nitrothiophene-2-carboxamide is 324759-11-7.
What is the molecular formula of N-benzo[e][1,3]benzothiazol-2-yl-5-nitrothiophene-2-carboxamide?
The molecular formula of N-benzo[e][1,3]benzothiazol-2-yl-5-nitrothiophene-2-carboxamide is C16H9N3O3S2.
What is the molecular weight of N-benzo[e][1,3]benzothiazol-2-yl-5-nitrothiophene-2-carboxamide?
The molecular weight of N-benzo[e][1,3]benzothiazol-2-yl-5-nitrothiophene-2-carboxamide is 355.01 g/mol.
Where can I buy N-benzo[e][1,3]benzothiazol-2-yl-5-nitrothiophene-2-carboxamide?
You can request a quote for N-benzo[e][1,3]benzothiazol-2-yl-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-benzo[e][1,3]benzothiazol-2-yl-5-nitrothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzo[e][1,3]benzothiazol-2-yl-5-nitrothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.