![N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide structure](/static/products/832/832105-29-0.png)
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
TL;DR: N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide (CAS 832105-29-0) is a chemical compound with molecular formula C24H20N4O3S and molecular weight 444.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
Also Known As: N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide, N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide, N-(2-(benzo[d]thiazol-2-yl)phenyl)-3-nitro-4-(pyrrolidin-1-yl)benzamide, N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide
| Molecular Formula | C24H20N4O3S |
|---|---|
| Molecular Weight | 444.13 g/mol |
| LogP | 5.724 |
| Topological Polar Surface Area | 88.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.1256 |
| Heavy Atoms | 32 |
| Complexity | 1294.8359 |
Chemical Identifiers
| CAS Number | 832105-29-0 |
|---|---|
| SMILES | C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5S4)[N+](=O)[O-] |
Product Overview
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide (CAS 832105-29-0), with molecular formula C24H20N4O3S and molecular weight 444.13 g/mol. IUPAC: N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide.
Chemical Property Profile of N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
Property Insights of N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
The XLogP value of 5.724 indicates that N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide 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-[2-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide. Following Lipinski's Rule of Five, N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide?
The CAS number of N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide is 832105-29-0.
What is the molecular formula of N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide?
The molecular formula of N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide is C24H20N4O3S.
What is the molecular weight of N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide?
The molecular weight of N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide is 444.13 g/mol.
Where can I buy N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide?
You can request a quote for N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.