N-(3-(benzo[d]thiazol-2-yl)-4-hydroxyphenyl)-5-nitrothiophene-2-carboxamide
TL;DR: N-(3-(benzo[d]thiazol-2-yl)-4-hydroxyphenyl)-5-nitrothiophene-2-carboxamide (CAS 328038-31-9) is a chemical compound with molecular formula C18H11N3O4S2 and molecular weight 397.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-5-nitrothiophene-2-carboxamide
Also Known As: N-(3-(benzo[d]thiazol-2-yl)-4-hydroxyphenyl)-5-nitrothiophene-2-carboxamide, N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-5-nitrothiophene-2-carboxamide, F0789-0039, N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-5-nitrothiophene-2-carboxamide, N-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-5-nitrothiophene-2-carboxamide
| Molecular Formula | C18H11N3O4S2 |
|---|---|
| Molecular Weight | 397.02 g/mol |
| LogP | 4.8909 |
| Topological Polar Surface Area | 105.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.0191 |
| Heavy Atoms | 27 |
| Complexity | 1149.2949 |
Chemical Identifiers
| CAS Number | 328038-31-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)NC(=O)C4=CC=C(S4)[N+](=O)[O-])O |
Product Overview
N-(3-(benzo[d]thiazol-2-yl)-4-hydroxyphenyl)-5-nitrothiophene-2-carboxamide (CAS 328038-31-9), with molecular formula C18H11N3O4S2 and molecular weight 397.02 g/mol. IUPAC: N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-5-nitrothiophene-2-carboxamide.
Chemical Property Profile of N-(3-(benzo[d]thiazol-2-yl)-4-hydroxyphenyl)-5-nitrothiophene-2-carboxamide
Property Insights of N-(3-(benzo[d]thiazol-2-yl)-4-hydroxyphenyl)-5-nitrothiophene-2-carboxamide
The XLogP value of 4.8909 indicates that N-(3-(benzo[d]thiazol-2-yl)-4-hydroxyphenyl)-5-nitrothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.36 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-(benzo[d]thiazol-2-yl)-4-hydroxyphenyl)-5-nitrothiophene-2-carboxamide. Following Lipinski's Rule of Five, N-(3-(benzo[d]thiazol-2-yl)-4-hydroxyphenyl)-5-nitrothiophene-2-carboxamide has 2 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 N-(3-(benzo[d]thiazol-2-yl)-4-hydroxyphenyl)-5-nitrothiophene-2-carboxamide?
The CAS number of N-(3-(benzo[d]thiazol-2-yl)-4-hydroxyphenyl)-5-nitrothiophene-2-carboxamide is 328038-31-9.
What is the molecular formula of N-(3-(benzo[d]thiazol-2-yl)-4-hydroxyphenyl)-5-nitrothiophene-2-carboxamide?
The molecular formula of N-(3-(benzo[d]thiazol-2-yl)-4-hydroxyphenyl)-5-nitrothiophene-2-carboxamide is C18H11N3O4S2.
What is the molecular weight of N-(3-(benzo[d]thiazol-2-yl)-4-hydroxyphenyl)-5-nitrothiophene-2-carboxamide?
The molecular weight of N-(3-(benzo[d]thiazol-2-yl)-4-hydroxyphenyl)-5-nitrothiophene-2-carboxamide is 397.02 g/mol.
Where can I buy N-(3-(benzo[d]thiazol-2-yl)-4-hydroxyphenyl)-5-nitrothiophene-2-carboxamide?
You can request a quote for N-(3-(benzo[d]thiazol-2-yl)-4-hydroxyphenyl)-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-(3-(benzo[d]thiazol-2-yl)-4-hydroxyphenyl)-5-nitrothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-(benzo[d]thiazol-2-yl)-4-hydroxyphenyl)-5-nitrothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.