N-(6-fluoro-1,3-benzothiazol-2-yl)-3-nitro-4-(pyrrolidin-1-yl)benzamide
TL;DR: N-(6-fluoro-1,3-benzothiazol-2-yl)-3-nitro-4-(pyrrolidin-1-yl)benzamide (CAS 801243-85-6) is a chemical compound with molecular formula C18H15FN4O3S and molecular weight 386.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide
Also Known As: N-(6-fluoro-1,3-benzothiazol-2-yl)-3-nitro-4-(pyrrolidin-1-yl)benzamide, N-(6-fluoro-1,3-benzothiazol-2-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide, N-(6-fluorobenzo[d]thiazol-2-yl)-3-nitro-4-(pyrrolidin-1-yl)benzamide, N-[(2Z)-6-fluoro-1,3-benzothiazol-2(3H)-ylidene]-3-nitro-4-(pyrrolidin-1-yl)benzamide
| Molecular Formula | C18H15FN4O3S |
|---|---|
| Molecular Weight | 386.08 g/mol |
| LogP | 4.1961 |
| Topological Polar Surface Area | 88.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.0849 |
| Heavy Atoms | 27 |
| Complexity | 1046.2628 |
Chemical Identifiers
| CAS Number | 801243-85-6 |
|---|---|
| SMILES | C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)F)[N+](=O)[O-] |
Product Overview
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-nitro-4-(pyrrolidin-1-yl)benzamide (CAS 801243-85-6), with molecular formula C18H15FN4O3S and molecular weight 386.08 g/mol. IUPAC: N-(6-fluoro-1,3-benzothiazol-2-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide.
Chemical Property Profile of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-nitro-4-(pyrrolidin-1-yl)benzamide
Property Insights of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-nitro-4-(pyrrolidin-1-yl)benzamide
The XLogP value of 4.1961 indicates that N-(6-fluoro-1,3-benzothiazol-2-yl)-3-nitro-4-(pyrrolidin-1-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.37 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-fluoro-1,3-benzothiazol-2-yl)-3-nitro-4-(pyrrolidin-1-yl)benzamide. Following Lipinski's Rule of Five, N-(6-fluoro-1,3-benzothiazol-2-yl)-3-nitro-4-(pyrrolidin-1-yl)benzamide 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-(6-fluoro-1,3-benzothiazol-2-yl)-3-nitro-4-(pyrrolidin-1-yl)benzamide?
The CAS number of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-nitro-4-(pyrrolidin-1-yl)benzamide is 801243-85-6.
What is the molecular formula of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-nitro-4-(pyrrolidin-1-yl)benzamide?
The molecular formula of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-nitro-4-(pyrrolidin-1-yl)benzamide is C18H15FN4O3S.
What is the molecular weight of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-nitro-4-(pyrrolidin-1-yl)benzamide?
The molecular weight of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-nitro-4-(pyrrolidin-1-yl)benzamide is 386.08 g/mol.
Where can I buy N-(6-fluoro-1,3-benzothiazol-2-yl)-3-nitro-4-(pyrrolidin-1-yl)benzamide?
You can request a quote for N-(6-fluoro-1,3-benzothiazol-2-yl)-3-nitro-4-(pyrrolidin-1-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-fluoro-1,3-benzothiazol-2-yl)-3-nitro-4-(pyrrolidin-1-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-fluoro-1,3-benzothiazol-2-yl)-3-nitro-4-(pyrrolidin-1-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.