N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide
TL;DR: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide (CAS 862807-72-5) is a chemical compound with molecular formula C18H13N3O5S2 and molecular weight 415.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide
Also Known As: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide, F0600-1574, N-(4,7-dimethoxybenzo[d]thiazol-2-yl)-5-nitrobenzo[b]thiophene-2-carboxamide
| Molecular Formula | C18H13N3O5S2 |
|---|---|
| Molecular Weight | 415.03 g/mol |
| LogP | 4.6887 |
| Topological Polar Surface Area | 103.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.02966 |
| Heavy Atoms | 28 |
| Complexity | 1189.8933 |
Chemical Identifiers
| CAS Number | 862807-72-5 |
|---|---|
| SMILES | COC1=C2C(=C(C=C1)OC)SC(=N2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-] |
Product Overview
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide (CAS 862807-72-5), with molecular formula C18H13N3O5S2 and molecular weight 415.03 g/mol. IUPAC: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide
Property Insights of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide
The XLogP value of 4.6887 indicates that N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.59 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide. Following Lipinski's Rule of Five, N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide has 1 hydrogen bond donor(s) and 8 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-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide?
The CAS number of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide is 862807-72-5.
What is the molecular formula of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide?
The molecular formula of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide is C18H13N3O5S2.
What is the molecular weight of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide?
The molecular weight of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide is 415.03 g/mol.
Where can I buy N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide?
You can request a quote for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-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-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.